 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer01_STD_M11_def2SVPD.in
 Output=22_phenylethanamine_conformer01_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-77659.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     77660.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer01_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:46:10 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer01_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.111307000000     -1.069417000000     -0.102024000000
  C                                                 0.734884000000     -1.260349000000     -0.166437000000
  C                                                -0.144890000000     -0.185381000000     -0.068831000000
  C                                                 0.388544000000      1.093690000000      0.095425000000
  C                                                 1.760545000000      1.291465000000      0.161002000000
  C                                                 2.628739000000      0.208429000000      0.062356000000
  C                                                -1.647711000000     -0.410794000000     -0.128779000000
  N                                                -2.350691000000      0.384938000000     -1.140870000000
  C                                                -2.300778000000     -0.170753000000      1.231094000000
  H                                                -1.882449000000      0.311028000000     -2.037050000000
  H                                                -1.804291000000     -1.459889000000     -0.395933000000
  H                                                -1.843351000000     -0.797458000000      1.996908000000
  H                                                -3.367500000000     -0.390246000000      1.178808000000
  H                                                -2.178114000000      0.871199000000      1.538101000000
  H                                                -0.274240000000      1.947756000000      0.170051000000
  H                                                 2.155180000000      2.291537000000      0.289393000000
  H                                                 3.698964000000      0.362116000000      0.110832000000
  H                                                 2.777726000000     -1.918812000000     -0.183587000000
  H                                                 0.336513000000     -2.260101000000     -0.296821000000
  H                                                -2.347436000000      1.366960000000     -0.887454000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:46:11 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.111307   -1.069417   -0.102024
      2          6           0        0.734884   -1.260349   -0.166437
      3          6           0       -0.144890   -0.185381   -0.068831
      4          6           0        0.388544    1.093690    0.095425
      5          6           0        1.760545    1.291465    0.161002
      6          6           0        2.628739    0.208429    0.062356
      7          6           0       -1.647711   -0.410794   -0.128779
      8          7           0       -2.350691    0.384938   -1.140870
      9          6           0       -2.300778   -0.170753    1.231094
     10          1           0       -1.882449    0.311028   -2.037050
     11          1           0       -1.804291   -1.459889   -0.395933
     12          1           0       -1.843351   -0.797458    1.996908
     13          1           0       -3.367500   -0.390246    1.178808
     14          1           0       -2.178114    0.871199    1.538101
     15          1           0       -0.274240    1.947756    0.170051
     16          1           0        2.155180    2.291537    0.289393
     17          1           0        3.698964    0.362116    0.110832
     18          1           0        2.777726   -1.918812   -0.183587
     19          1           0        0.336513   -2.260101   -0.296821
     20          1           0       -2.347436    1.366960   -0.887454
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391095   0.000000
     3  C    2.423437   1.392510   0.000000
     4  C    2.772351   2.393747   1.395548   0.000000
     5  C    2.401246   2.769648   2.421689   1.387733   0.000000
     6  C    1.388397   2.407559   2.804517   2.408994   1.391567
     7  C    3.816375   2.529806   1.520814   2.541668   3.820716
     8  N    4.806639   3.630050   2.517953   3.087744   4.406691
     9  C    4.695881   3.515047   2.517513   3.181354   4.447193
    10  H    4.647584   3.580342   2.671969   3.212074   4.366245
    11  H    3.945980   2.557322   2.117777   3.401577   4.537420
    12  H    4.485398   3.397297   2.743481   3.489045   4.552166
    13  H    5.667374   4.404125   3.461761   4.181346   5.491896
    14  H    4.985492   3.991805   2.798677   2.952719   4.193574
    15  H    3.855929   3.379866   2.150365   1.083642   2.138025
    16  H    3.383954   3.852391   3.399084   2.143237   1.082758
    17  H    2.148313   3.390434   3.886804   3.390327   2.150273
    18  H    1.082700   2.146409   3.399947   3.855024   3.385155
    19  H    2.146059   1.084068   2.142006   3.377052   3.853711
    20  H    5.141325   4.113796   2.816224   2.919985   4.240338
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.325274   0.000000
     8  N    5.125781   1.466867   0.000000
     9  C    5.080341   1.527537   2.436698   0.000000
    10  H    4.976831   2.053686   1.013830   3.329846   0.000000
    11  H    4.758684   1.093841   2.063219   2.134382   2.415682
    12  H    4.975328   2.169408   3.391328   1.090170   4.183669
    13  H    6.128602   2.160528   2.648720   1.090324   3.610942
    14  H    5.071777   2.168714   2.728208   1.093144   3.630828
    15  H    3.385874   2.745629   2.910767   3.117812   3.183789
    16  H    2.148288   4.683956   5.097416   5.177377   5.063319
    17  H    1.082290   5.407563   6.177832   6.126650   5.980650
    18  H    2.146588   4.675641   5.703009   5.554119   5.488601
    19  H    3.387765   2.717594   3.863899   3.695295   3.816136
    20  H    5.196792   2.055629   1.014198   2.618202   1.628735
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.483149   0.000000
    13  H    2.463243   1.777115   0.000000
    14  H    3.051918   1.762665   1.770586   0.000000
    15  H    3.778020   3.651810   4.006507   2.579781   0.000000
    16  H    5.497297   5.333456   6.203468   4.728009   2.456524
    17  H    5.819135   5.968178   7.186204   6.069292   4.278330
    18  H    4.609835   5.231285   6.477379   5.942114   4.938614
    19  H    2.287620   3.486018   4.403811   4.415351   4.277505
    20  H    2.920218   3.641202   2.897886   2.481485   2.398704
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477462   0.000000
    18  H    4.282326   2.477498   0.000000
    19  H    4.936457   4.283489   2.467554   0.000000
    20  H    4.744825   6.210092   6.128541   4.550604   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.111307   -1.069417   -0.102024
      2          6           0        0.734884   -1.260349   -0.166437
      3          6           0       -0.144890   -0.185381   -0.068831
      4          6           0        0.388544    1.093690    0.095425
      5          6           0        1.760545    1.291465    0.161002
      6          6           0        2.628739    0.208429    0.062356
      7          6           0       -1.647711   -0.410794   -0.128779
      8          7           0       -2.350691    0.384938   -1.140870
      9          6           0       -2.300778   -0.170753    1.231094
     10          1           0       -1.882449    0.311028   -2.037050
     11          1           0       -1.804291   -1.459889   -0.395933
     12          1           0       -1.843351   -0.797458    1.996908
     13          1           0       -3.367500   -0.390246    1.178808
     14          1           0       -2.178114    0.871199    1.538101
     15          1           0       -0.274240    1.947756    0.170051
     16          1           0        2.155180    2.291537    0.289393
     17          1           0        3.698964    0.362116    0.110832
     18          1           0        2.777726   -1.918812   -0.183587
     19          1           0        0.336513   -2.260101   -0.296821
     20          1           0       -2.347436    1.366960   -0.887454
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4368554           1.0875586           0.9903475
 Leave Link  202 at Thu Aug 12 21:46:11 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   268 symmetry adapted basis functions of A   symmetry.
   268 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.1332285289 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   268 RedAO= T EigKep=  5.07D-06  NBF=   268
 NBsUse=   268 1.00D-06 EigRej= -1.00D+00 NBFU=   268
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer01_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:46:13 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368540348 LenY=  5368458111
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -365.711581727551    
 DIIS: error= 3.96D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -365.711581727551     IErMin= 1 ErrMin= 3.96D-03
 ErrMax= 3.96D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-02 BMatP= 1.27D-02
 IDIUse=3 WtCom= 9.60D-01 WtEn= 3.96D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.397 Goal=   None    Shift=    0.000
 GapD=    0.397 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.47D-02 MaxDP=4.88D-01              OVMax= 2.08D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.16D-02    CP:  1.28D+00
 E= -365.725689730663     Delta-E=       -0.014108003111 Rises=F Damp=F
 DIIS: error= 4.98D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -365.725689730663     IErMin= 2 ErrMin= 4.98D-04
 ErrMax= 4.98D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.21D-04 BMatP= 1.27D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.98D-03
 Coeff-Com: -0.944D-01 0.109D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.939D-01 0.109D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=3.18D-03 MaxDP=1.03D-01 DE=-1.41D-02 OVMax= 8.14D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.35D-03    CP:  1.35D+00  1.14D+00
 E= -365.726250317922     Delta-E=       -0.000560587259 Rises=F Damp=F
 DIIS: error= 3.51D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -365.726250317922     IErMin= 3 ErrMin= 3.51D-04
 ErrMax= 3.51D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.08D-05 BMatP= 3.21D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.51D-03
 Coeff-Com: -0.480D-01 0.350D+00 0.698D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.479D-01 0.349D+00 0.699D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=2.35D-04 MaxDP=1.98D-02 DE=-5.61D-04 OVMax= 2.35D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.03D-04    CP:  1.35D+00  1.15D+00  1.00D+00
 E= -365.726319492026     Delta-E=       -0.000069174105 Rises=F Damp=F
 DIIS: error= 1.29D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -365.726319492026     IErMin= 4 ErrMin= 1.29D-04
 ErrMax= 1.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.17D-06 BMatP= 8.08D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.29D-03
 Coeff-Com: -0.122D-02-0.554D-01 0.204D+00 0.852D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.121D-02-0.554D-01 0.204D+00 0.853D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=9.83D-05 MaxDP=5.57D-03 DE=-6.92D-05 OVMax= 1.36D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.00D-05    CP:  1.35D+00  1.15D+00  1.03D+00  1.01D+00
 E= -365.726331201131     Delta-E=       -0.000011709105 Rises=F Damp=F
 DIIS: error= 3.22D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -365.726331201131     IErMin= 5 ErrMin= 3.22D-05
 ErrMax= 3.22D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.64D-07 BMatP= 9.17D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.279D-02-0.300D-01-0.192D-01 0.146D+00 0.900D+00
 Coeff:      0.279D-02-0.300D-01-0.192D-01 0.146D+00 0.900D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=2.70D-05 MaxDP=8.00D-04 DE=-1.17D-05 OVMax= 4.78D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.80D-05    CP:  1.35D+00  1.15D+00  1.04D+00  1.05D+00  1.08D+00
 E= -365.726332114258     Delta-E=       -0.000000913127 Rises=F Damp=F
 DIIS: error= 9.95D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -365.726332114258     IErMin= 6 ErrMin= 9.95D-06
 ErrMax= 9.95D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.53D-08 BMatP= 4.64D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.680D-03-0.293D-02-0.184D-01-0.314D-01 0.170D+00 0.882D+00
 Coeff:      0.680D-03-0.293D-02-0.184D-01-0.314D-01 0.170D+00 0.882D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.00D-05 MaxDP=2.87D-04 DE=-9.13D-07 OVMax= 2.16D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.54D-06    CP:  1.35D+00  1.15D+00  1.03D+00  1.07D+00  1.14D+00
                    CP:  1.10D+00
 E= -365.726332242704     Delta-E=       -0.000000128446 Rises=F Damp=F
 DIIS: error= 4.68D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -365.726332242704     IErMin= 7 ErrMin= 4.68D-06
 ErrMax= 4.68D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-08 BMatP= 5.53D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.274D-03 0.468D-02-0.184D-02-0.368D-01-0.120D+00 0.269D+00
 Coeff-Com:  0.886D+00
 Coeff:     -0.274D-03 0.468D-02-0.184D-02-0.368D-01-0.120D+00 0.269D+00
 Coeff:      0.886D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=4.29D-06 MaxDP=2.11D-04 DE=-1.28D-07 OVMax= 1.02D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.65D-06    CP:  1.35D+00  1.15D+00  1.03D+00  1.07D+00  1.15D+00
                    CP:  1.26D+00  1.12D+00
 E= -365.726332269315     Delta-E=       -0.000000026610 Rises=F Damp=F
 DIIS: error= 1.45D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -365.726332269315     IErMin= 8 ErrMin= 1.45D-06
 ErrMax= 1.45D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-09 BMatP= 1.21D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.186D-03 0.230D-02 0.104D-02-0.122D-01-0.655D-01 0.246D-01
 Coeff-Com:  0.349D+00 0.701D+00
 Coeff:     -0.186D-03 0.230D-02 0.104D-02-0.122D-01-0.655D-01 0.246D-01
 Coeff:      0.349D+00 0.701D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.56D-06 MaxDP=8.80D-05 DE=-2.66D-08 OVMax= 2.43D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.01D-07    CP:  1.35D+00  1.15D+00  1.03D+00  1.07D+00  1.15D+00
                    CP:  1.27D+00  1.23D+00  1.14D+00
 E= -365.726332271898     Delta-E=       -0.000000002583 Rises=F Damp=F
 DIIS: error= 3.77D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -365.726332271898     IErMin= 9 ErrMin= 3.77D-07
 ErrMax= 3.77D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.32D-11 BMatP= 1.67D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.158D-04-0.387D-03 0.418D-03 0.377D-02 0.784D-02-0.363D-01
 Coeff-Com: -0.773D-01 0.984D-01 0.100D+01
 Coeff:      0.158D-04-0.387D-03 0.418D-03 0.377D-02 0.784D-02-0.363D-01
 Coeff:     -0.773D-01 0.984D-01 0.100D+01
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=7.02D-07 MaxDP=4.93D-05 DE=-2.58D-09 OVMax= 1.06D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.97D-07    CP:  1.35D+00  1.15D+00  1.04D+00  1.07D+00  1.15D+00
                    CP:  1.28D+00  1.27D+00  1.25D+00  1.15D+00
 E= -365.726332272135     Delta-E=       -0.000000000237 Rises=F Damp=F
 DIIS: error= 7.89D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -365.726332272135     IErMin=10 ErrMin= 7.89D-08
 ErrMax= 7.89D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.55D-12 BMatP= 9.32D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-04-0.183D-03 0.237D-04 0.126D-02 0.478D-02-0.734D-02
 Coeff-Com: -0.299D-01-0.281D-01 0.152D+00 0.907D+00
 Coeff:      0.124D-04-0.183D-03 0.237D-04 0.126D-02 0.478D-02-0.734D-02
 Coeff:     -0.299D-01-0.281D-01 0.152D+00 0.907D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.16D-07 MaxDP=7.10D-06 DE=-2.37D-10 OVMax= 1.94D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.85D-08    CP:  1.35D+00  1.15D+00  1.04D+00  1.07D+00  1.15D+00
                    CP:  1.29D+00  1.28D+00  1.26D+00  1.19D+00  1.15D+00
 E= -365.726332272152     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 3.82D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -365.726332272152     IErMin=11 ErrMin= 3.82D-08
 ErrMax= 3.82D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.30D-13 BMatP= 5.55D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.175D-05-0.921D-05-0.321D-04-0.530D-04 0.434D-03 0.178D-02
 Coeff-Com:  0.659D-03-0.184D-01-0.670D-01 0.243D+00 0.839D+00
 Coeff:      0.175D-05-0.921D-05-0.321D-04-0.530D-04 0.434D-03 0.178D-02
 Coeff:      0.659D-03-0.184D-01-0.670D-01 0.243D+00 0.839D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=4.66D-08 MaxDP=1.45D-06 DE=-1.63D-11 OVMax= 7.13D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.11D-08    CP:  1.35D+00  1.15D+00  1.04D+00  1.07D+00  1.15D+00
                    CP:  1.28D+00  1.28D+00  1.26D+00  1.21D+00  1.21D+00
                    CP:  1.20D+00
 E= -365.726332272151     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 1.39D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -365.726332272152     IErMin=12 ErrMin= 1.39D-08
 ErrMax= 1.39D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-13 BMatP= 9.30D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.987D-06 0.197D-04-0.117D-04-0.171D-03-0.492D-03 0.142D-02
 Coeff-Com:  0.411D-02-0.191D-02-0.394D-01-0.381D-01 0.255D+00 0.820D+00
 Coeff:     -0.987D-06 0.197D-04-0.117D-04-0.171D-03-0.492D-03 0.142D-02
 Coeff:      0.411D-02-0.191D-02-0.394D-01-0.381D-01 0.255D+00 0.820D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=2.04D-08 MaxDP=6.18D-07 DE= 9.09D-13 OVMax= 2.33D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.68D-09    CP:  1.35D+00  1.15D+00  1.04D+00  1.07D+00  1.15D+00
                    CP:  1.29D+00  1.28D+00  1.26D+00  1.21D+00  1.23D+00
                    CP:  1.29D+00  1.10D+00
 E= -365.726332272148     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 7.29D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -365.726332272152     IErMin=13 ErrMin= 7.29D-09
 ErrMax= 7.29D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.44D-15 BMatP= 1.17D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.327D-06 0.452D-05 0.176D-06-0.278D-04-0.132D-03 0.120D-03
 Coeff-Com:  0.743D-03 0.109D-02-0.202D-02-0.244D-01-0.237D-01 0.134D+00
 Coeff-Com:  0.915D+00
 Coeff:     -0.327D-06 0.452D-05 0.176D-06-0.278D-04-0.132D-03 0.120D-03
 Coeff:      0.743D-03 0.109D-02-0.202D-02-0.244D-01-0.237D-01 0.134D+00
 Coeff:      0.915D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=3.86D-09 MaxDP=9.45D-08 DE= 2.96D-12 OVMax= 1.24D-07

 SCF Done:  E(RM11) =  -365.726332272     A.U. after   13 cycles
            NFock= 13  Conv=0.39D-08     -V/T= 2.0124
 KE= 3.612490004050D+02 PE=-1.696164771234D+03 EE= 5.440562100282D+02
 Leave Link  502 at Thu Aug 12 21:47:34 2021, MaxMem=  5368709120 cpu:             647.1 elap:              81.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   268
 NBasis=   268 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    268 NOA=    33 NOB=    33 NVA=   235 NVB=   235

 **** Warning!!: The largest alpha MO coefficient is  0.84247132D+02

 Leave Link  801 at Thu Aug 12 21:47:34 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6045 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.29D-13 8.33D-09 XBig12= 1.00D+00 4.11D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.29D-13 8.33D-09 XBig12= 1.72D-01 7.86D-02.
     11 vectors produced by pass  2 Test12= 1.29D-13 8.33D-09 XBig12= 2.65D-02 5.78D-02.
     11 vectors produced by pass  3 Test12= 1.29D-13 8.33D-09 XBig12= 2.61D-03 1.29D-02.
     11 vectors produced by pass  4 Test12= 1.29D-13 8.33D-09 XBig12= 3.64D-04 3.81D-03.
     11 vectors produced by pass  5 Test12= 1.29D-13 8.33D-09 XBig12= 1.87D-05 6.42D-04.
     11 vectors produced by pass  6 Test12= 1.29D-13 8.33D-09 XBig12= 6.64D-07 1.46D-04.
     11 vectors produced by pass  7 Test12= 1.29D-13 8.33D-09 XBig12= 1.69D-08 1.92D-05.
     11 vectors produced by pass  8 Test12= 1.29D-13 8.33D-09 XBig12= 3.23D-10 2.08D-06.
     11 vectors produced by pass  9 Test12= 1.29D-13 8.33D-09 XBig12= 7.29D-12 3.37D-07.
      7 vectors produced by pass 10 Test12= 1.29D-13 8.33D-09 XBig12= 1.61D-13 5.06D-08.
      1 vectors produced by pass 11 Test12= 1.29D-13 8.33D-09 XBig12= 7.44D-15 9.06D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.132795D+03
      2 -0.232081D+00  0.106148D+03
      3  0.763732D+00  0.260455D+01  0.759912D+02
 Isotropic polarizability for W=    0.085645      104.98 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.681992D+02  0.873178D+00 -0.148212D+00
      2  -0.130283D+02  0.693512D-01 -0.562186D+01
      3  -0.551709D+02 -0.942530D+00  0.577008D+01
      4   0.159642D+01  0.722507D+02  0.179113D+02
      5   0.128188D+02  0.181754D+02 -0.455069D+02
      6   0.736801D+01  0.802560D+01 -0.104663D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.520226D+00  0.308591D+01  0.160297D+01
      2   0.207928D+00  0.778528D+01 -0.183083D+02
      3  -0.466156D+01 -0.342684D+02 -0.772950D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.264127D+00  0.136475D+02  0.104097D+00
      2  -0.129670D+02  0.105433D+02  0.966401D+01
      3   0.723242D+00 -0.852790D+02 -0.108074D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.939214D-01 -0.738402D+00  0.868066D+00
      2  -0.738402D+00 -0.148905D+01  0.369230D+01
      3   0.868066D+00  0.369230D+01  0.930680D+00
 OR G Eigenvalues:    -4.4359     0.3436     3.6278  Iso=     0.1548
 Eigenvectors:
   (1)   0.237894   0.781794  -0.576372
   (2)   0.968024  -0.239467   0.074732
   (3)   0.079597   0.575721   0.813763
 w=    0.085645 a.u., Optical Rotation Beta=      0.1548 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =       60.59 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   36046 ScalPx= 1.52D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.88D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.15D-14 2.78D-09 XBig12= 1.00D+00 4.77D-01.
     30 vectors produced by pass  1 Test12= 2.15D-14 2.78D-09 XBig12= 4.73D-02 5.42D-02.
     30 vectors produced by pass  2 Test12= 2.15D-14 2.78D-09 XBig12= 2.20D-03 6.58D-03.
     30 vectors produced by pass  3 Test12= 2.15D-14 2.78D-09 XBig12= 2.60D-05 7.64D-04.
     30 vectors produced by pass  4 Test12= 2.15D-14 2.78D-09 XBig12= 3.50D-07 8.12D-05.
     30 vectors produced by pass  5 Test12= 2.15D-14 2.78D-09 XBig12= 4.09D-09 7.92D-06.
     30 vectors produced by pass  6 Test12= 2.15D-14 2.78D-09 XBig12= 5.25D-11 1.03D-06.
     30 vectors produced by pass  7 Test12= 2.15D-14 2.78D-09 XBig12= 5.75D-13 7.46D-08.
     15 vectors produced by pass  8 Test12= 2.15D-14 2.78D-09 XBig12= 5.87D-15 6.73D-09.
      3 vectors produced by pass  9 Test12= 2.15D-14 2.78D-09 XBig12= 2.07D-15 5.47D-09.
      1 vectors produced by pass 10 Test12= 2.15D-14 2.78D-09 XBig12= 5.08D-16 3.14D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   259 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 5.60D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 5.60D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.68D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132795D+03 -0.232081D+00  0.763732D+00
      2  -0.232081D+00  0.106148D+03  0.260455D+01
      3   0.763732D+00  0.260455D+01  0.759912D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.520226D+00  0.308591D+01  0.160297D+01
      2   0.207928D+00  0.778528D+01 -0.183083D+02
      3  -0.466156D+01 -0.342684D+02 -0.772950D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.681992D+02  0.873178D+00 -0.148212D+00
      2  -0.130283D+02  0.693512D-01 -0.562186D+01
      3  -0.551709D+02 -0.942530D+00  0.577008D+01
      4   0.159642D+01  0.722507D+02  0.179113D+02
      5   0.128188D+02  0.181754D+02 -0.455069D+02
      6   0.736801D+01  0.802560D+01 -0.104663D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.236690D+01 -0.660742D+00 -0.219669D+00 -0.499153D+01 -0.114932D+01
      2  -0.660742D+00  0.260035D+01  0.299911D+00 -0.114932D+01 -0.529470D+00
      3  -0.219669D+00  0.299911D+00  0.148692D+01 -0.526778D+00  0.590391D+00
                 6             7             8             9            10 
      1  -0.526778D+00 -0.101670D+01 -0.425384D+00  0.271295D+01  0.541061D+01
      2   0.590391D+00 -0.425384D+00  0.958296D+00 -0.310559D+01  0.234174D+01
      3  -0.174258D+01  0.271295D+01 -0.310559D+01 -0.692977D+00  0.574892D+00
                11            12            13            14            15 
      1   0.234174D+01  0.574892D+00 -0.655033D+01 -0.204224D+00  0.162424D-01
      2  -0.206806D+01  0.183651D-01 -0.204224D+00 -0.119774D+01  0.603939D+00
      3   0.183651D-01 -0.920803D+00  0.162424D-01  0.603939D+00 -0.223814D+01
                16            17            18            19            20 
      1  -0.567561D+00  0.571021D+00 -0.112177D+01 -0.163252D+02 -0.123989D+01
      2   0.571021D+00  0.775711D+00 -0.389941D+01 -0.123989D+01 -0.218256D+01
      3  -0.112177D+01 -0.389941D+01 -0.147691D+01  0.368715D-01 -0.383404D-02
                21            22            23            24            25 
      1   0.368715D-01 -0.260437D+01  0.172473D+01  0.744604D+00 -0.150811D+00
      2  -0.383404D-02  0.172473D+01 -0.683795D+00 -0.105337D+00  0.528802D+00
      3  -0.213075D+01  0.744604D+00 -0.105337D+00  0.175328D+00 -0.374140D+01
                26            27            28            29            30 
      1   0.528802D+00 -0.374140D+01  0.387154D+01 -0.857464D+00  0.354718D+00
      2  -0.312244D+00 -0.290963D+00 -0.857464D+00 -0.291516D+01 -0.274902D+00
      3  -0.290963D+00  0.109117D+00  0.354718D+00 -0.274902D+00 -0.136231D+01
                31            32            33            34            35 
      1   0.770615D+01 -0.837809D-01  0.285948D+00  0.124730D+01  0.871476D-01
      2  -0.837809D-01  0.891227D+00 -0.479434D+00  0.871476D-01 -0.879145D+00
      3   0.285948D+00 -0.479434D+00  0.181068D+01 -0.168715D+01  0.310301D+01
                36            37            38            39            40 
      1  -0.168715D+01 -0.425006D+01 -0.427126D+00 -0.312883D+00  0.506433D+01
      2   0.310301D+01 -0.427126D+00  0.157451D+01 -0.116180D+00 -0.144925D+00
      3   0.538684D+00 -0.312883D+00 -0.116180D+00  0.809963D+00 -0.974411D-01
                41            42            43            44            45 
      1  -0.144925D+00 -0.974411D-01  0.230784D+00 -0.387271D+00  0.186485D+01
      2   0.879153D+00 -0.589874D+00 -0.387271D+00 -0.718553D+00  0.367929D+01
      3  -0.589874D+00  0.205530D+01  0.186485D+01  0.367929D+01  0.127653D+01
                46            47            48            49            50 
      1   0.548266D+01  0.144543D+00 -0.871174D-01  0.392929D+00 -0.181006D+00
      2   0.144543D+00  0.308272D+01  0.395919D-01 -0.181006D+00 -0.653781D-01
      3  -0.871174D-01  0.395919D-01  0.256592D+01 -0.733207D+00 -0.196579D+00
                51            52            53            54            55 
      1  -0.733207D+00 -0.621100D-01 -0.643529D+00  0.526541D+01  0.266123D+01
      2  -0.196579D+00 -0.643529D+00 -0.463937D-01  0.588175D+00 -0.176388D+00
      3   0.289864D+00  0.526541D+01  0.588175D+00  0.489296D+00 -0.115127D+01
                56            57            58            59            60 
      1  -0.176388D+00 -0.115127D+01 -0.338827D+01  0.117669D+01 -0.111207D+01
      2   0.190817D-03 -0.689368D+00  0.117669D+01  0.624058D+01  0.214131D+01
      3  -0.689368D+00  0.300834D+01 -0.111207D+01  0.214131D+01 -0.120875D+01
                61            62            63            64            65 
      1  -0.110620D+01 -0.740044D+00  0.584973D+01 -0.361876D+01  0.129170D+01
      2  -0.740044D+00  0.145938D+01 -0.209445D+00  0.129170D+01 -0.155499D+00
      3   0.584973D+01 -0.209445D+00 -0.178964D+01 -0.106340D+01  0.982977D+00
                66            67            68            69            70 
      1  -0.106340D+01  0.340916D+01 -0.111373D+01  0.628757D+00 -0.224344D+01
      2   0.982977D+00 -0.111373D+01 -0.458315D+01 -0.132063D+01  0.571178D+00
      3  -0.464457D+01  0.628757D+00 -0.132063D+01  0.375296D+00 -0.491102D+01
                71            72            73            74            75 
      1   0.571178D+00 -0.491102D+01  0.815058D+01  0.202451D+01 -0.415863D+00
      2  -0.628024D+00  0.288893D+00  0.202451D+01 -0.875753D+00  0.721690D+00
      3   0.288893D+00  0.203666D+01 -0.415863D+00  0.721690D+00 -0.357110D+01
                76            77            78            79            80 
      1   0.321403D+01 -0.751240D+00  0.518251D+00  0.387206D+01  0.829056D+00
      2  -0.751240D+00 -0.366731D+01 -0.331751D+01  0.829056D+00 -0.275622D+01
      3   0.518251D+00 -0.331751D+01  0.196299D+01 -0.457198D+01  0.130228D+01
                81            82            83            84            85 
      1  -0.457198D+01 -0.525420D-01 -0.162786D+00 -0.772749D+00 -0.807097D+00
      2   0.130228D+01 -0.162786D+00  0.249914D+00 -0.231247D+00 -0.179254D-01
      3   0.745976D+00 -0.772749D+00 -0.231247D+00  0.288991D+01  0.464932D-01
                86            87            88            89            90 
      1  -0.179254D-01  0.464932D-01 -0.141359D+01  0.361759D-01  0.985831D+00
      2   0.138706D+00 -0.858362D+00  0.361759D-01 -0.101371D+01  0.509524D+00
      3  -0.858362D+00 -0.338938D+00  0.985831D+00  0.509524D+00 -0.769414D+01
                91            92            93            94            95 
      1  -0.649104D-01 -0.139682D+01 -0.272565D+00 -0.207912D+01 -0.156722D+01
      2  -0.139682D+01 -0.102735D+01 -0.200528D+00 -0.156722D+01 -0.713791D+01
      3  -0.272565D+00 -0.200528D+00 -0.704501D+00 -0.147075D+00 -0.127090D+01
                96            97            98            99           100 
      1  -0.147075D+00 -0.249330D+00 -0.157537D+00 -0.105615D+01  0.372323D+00
      2  -0.127090D+01 -0.157537D+00 -0.131605D+01 -0.127147D+01 -0.868506D+00
      3  -0.153038D+01 -0.105615D+01 -0.127147D+01 -0.882630D+00  0.913483D+00
               101           102           103           104           105 
      1  -0.868506D+00  0.913483D+00 -0.127546D+01  0.280774D+00 -0.541333D-01
      2   0.838515D+00 -0.732625D+00  0.280774D+00 -0.206040D+01  0.232217D+01
      3  -0.732625D+00  0.219360D+01 -0.541333D-01  0.232217D+01 -0.285605D+01
               106           107           108           109           110 
      1   0.698027D+00 -0.273464D+00  0.609628D+00 -0.128917D+02 -0.160412D+01
      2  -0.273464D+00  0.192491D+01 -0.221912D+01 -0.160412D+01 -0.116075D+01
      3   0.609628D+00 -0.221912D+01  0.531741D+01  0.194864D+01  0.187889D+00
               111           112           113           114           115 
      1   0.194864D+01 -0.219737D+01 -0.157404D+01  0.391287D+00 -0.433243D+00
      2   0.187889D+00 -0.157404D+01 -0.446588D+00  0.562704D+00 -0.795650D-02
      3  -0.153347D+01  0.391287D+00  0.562704D+00 -0.651650D+00 -0.841008D+00
               116           117           118           119           120 
      1  -0.795650D-02 -0.841008D+00 -0.715984D+00  0.725104D+00  0.365628D+00
      2   0.100551D+00 -0.388559D+00  0.725104D+00  0.164430D+00 -0.312463D-01
      3  -0.388559D+00  0.400408D-01  0.365628D+00 -0.312463D-01  0.646623D+00
               121           122           123           124           125 
      1   0.169869D+01 -0.544728D+00 -0.769442D+00  0.353787D+00 -0.260503D+00
      2  -0.544728D+00  0.548704D+01  0.219451D+01 -0.260503D+00  0.156123D+01
      3  -0.769442D+00  0.219451D+01  0.236332D+01  0.696697D-01  0.123928D+01
               126           127           128           129           130 
      1   0.696697D-01 -0.367842D+01  0.237877D+01  0.274700D-01  0.272651D+01
      2   0.123928D+01  0.237877D+01 -0.248419D+01 -0.151649D+00 -0.287186D+01
      3   0.174901D+01  0.274700D-01 -0.151649D+00 -0.467561D+00 -0.289318D+00
               131           132           133           134           135 
      1  -0.287186D+01 -0.289318D+00  0.354447D-01 -0.356519D+00  0.840759D-02
      2   0.587831D+01  0.427950D+00 -0.356519D+00  0.581422D+00  0.163531D+00
      3   0.427950D+00  0.817240D+00  0.840759D-02  0.163531D+00  0.108108D+00
               136           137           138           139           140 
      1   0.228587D+01  0.266518D+01  0.353153D+00  0.231339D+01  0.383816D+01
      2   0.266518D+01  0.279103D+01  0.354093D+00  0.383816D+01  0.970971D+01
      3   0.353153D+00  0.354093D+00  0.396517D+00  0.463478D+00  0.106314D+01
               141           142           143           144           145 
      1   0.463478D+00  0.464478D+00  0.521967D+00  0.201923D+00  0.132556D+02
      2   0.106314D+01  0.521967D+00  0.119429D+01  0.370277D+00  0.143880D+01
      3   0.106642D+01  0.201923D+00  0.370277D+00  0.255791D+00  0.482942D+00
               146           147           148           149           150 
      1   0.143880D+01  0.482942D+00  0.134626D+01  0.176475D+01  0.242348D+00
      2   0.952394D+00  0.379035D-01  0.176475D+01  0.547650D+00  0.838104D-01
      3   0.379035D-01  0.103155D+01  0.242348D+00  0.838104D-01  0.154708D+00
               151           152           153           154           155 
      1   0.476266D+00  0.242894D+00  0.880238D-01  0.517244D+01 -0.399437D+01
      2   0.242894D+00  0.506140D-01  0.420915D-01 -0.399437D+01  0.361075D+01
      3   0.880238D-01  0.420915D-01  0.166643D-01 -0.333225D+00  0.238891D+00
               156           157           158           159           160 
      1  -0.333225D+00 -0.382818D+01  0.450467D+01  0.453271D+00 -0.359974D+00
      2   0.238891D+00  0.450467D+01 -0.668805D+01 -0.591589D+00  0.439361D+00
      3   0.653191D+00  0.453271D+00 -0.591589D+00 -0.876283D+00  0.260592D+00
               161           162           163           164           165 
      1   0.439361D+00  0.260592D+00 -0.156233D+01 -0.179311D+01 -0.251606D+00
      2  -0.766346D+00 -0.243623D+00 -0.179311D+01 -0.214750D+01 -0.289060D+00
      3  -0.243623D+00 -0.111827D+00 -0.251606D+00 -0.289060D+00 -0.265771D+00
               166           167           168           169           170 
      1  -0.161660D+01 -0.192130D+01 -0.259882D+00 -0.101830D+00 -0.351108D+00
      2  -0.192130D+01 -0.891731D+01 -0.987856D+00 -0.351108D+00 -0.113883D+01
      3  -0.259882D+00 -0.987856D+00 -0.101513D+01  0.551874D-01 -0.310928D+00
               171           172           173           174           175 
      1   0.551874D-01 -0.113601D+01  0.170977D+00 -0.177448D+00  0.146688D+01
      2  -0.310928D+00  0.170977D+00 -0.847977D+00 -0.160672D+00 -0.116447D+01
      3  -0.177559D+00 -0.177448D+00 -0.160672D+00 -0.816857D-01  0.198672D+00
               176           177           178           179           180 
      1  -0.116447D+01  0.198672D+00  0.326649D+00 -0.224287D+00 -0.417199D-01
      2   0.620472D+01 -0.271859D+00 -0.224287D+00  0.969105D+00  0.652750D+00
      3  -0.271859D+00  0.138679D+01 -0.417199D-01  0.652750D+00  0.142392D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.728844D+00 -0.368439D+00  0.213537D+01 -0.110549D+01 -0.293181D+00
      2  -0.339008D+00  0.799141D+00  0.257963D+01 -0.492941D+00  0.172060D+01
      3   0.559221D+01 -0.846626D+01 -0.535775D+00  0.861840D+01  0.240513D+01
                 6             7             8             9            10 
      1  -0.156092D+01  0.581434D+01  0.402872D+01  0.644798D+00  0.755923D+00
      2  -0.512045D+01 -0.314454D+01 -0.951874D+01 -0.189062D+01  0.117212D+01
      3  -0.725868D+00  0.713483D+00 -0.139093D+01  0.492772D+01 -0.907453D+01
                11            12            13            14            15 
      1   0.731086D+00 -0.149373D+01  0.347568D+00  0.420426D+00 -0.267204D+01
      2   0.102566D+01 -0.109398D+01  0.144055D+01 -0.772791D-01 -0.168873D+01
      3  -0.552259D+01 -0.145317D+01  0.456053D+01  0.565124D+01 -0.220693D+00
                16            17            18            19            20 
      1  -0.434373D+01  0.128888D+01 -0.307559D+00 -0.113799D+01  0.971989D-02
      2  -0.127745D+02 -0.207979D+01 -0.119997D+01 -0.348184D+01 -0.551704D-01
      3  -0.621907D+00 -0.108240D+01  0.539057D+01  0.411881D+01  0.617176D+01
                21            22            23            24            25 
      1   0.643209D-01 -0.841705D+00 -0.192640D+01  0.146141D+01 -0.626092D+00
      2  -0.159559D+01 -0.717331D+00  0.638751D+00 -0.104198D+01 -0.157012D+02
      3   0.254993D+00  0.171809D+02  0.837999D+00 -0.281780D+00 -0.100633D+01
                26            27            28            29            30 
      1   0.950940D+01  0.155489D+01  0.330069D-01 -0.204793D+00  0.234066D+01
      2  -0.111229D+00 -0.178063D+01  0.569970D+00  0.378607D+00 -0.139895D+01
      3  -0.240669D+00  0.952699D+00 -0.806978D+00 -0.420472D+00  0.274051D+00
                31            32            33            34            35 
      1   0.310937D-01  0.905064D-01 -0.194822D+01  0.658804D+01  0.373186D+01
      2   0.173685D+01  0.107739D+00  0.163962D+01 -0.126244D+02  0.743838D+00
      3  -0.581885D+00 -0.583527D+01  0.242820D+00 -0.912860D+00  0.458316D+00
                36            37            38            39            40 
      1   0.552070D+00 -0.189021D+00  0.770021D+00 -0.195696D+01  0.626920D+00
      2   0.358203D+00 -0.188415D+00  0.110853D+01  0.808781D+00  0.564982D+00
      3  -0.589160D+01  0.393994D+01 -0.140139D+02 -0.136276D+01  0.410249D+01
                41            42            43            44            45 
      1  -0.117592D+00 -0.266489D+01 -0.492449D+01  0.106372D+01 -0.673290D+00
      2  -0.147753D+01  0.459141D+01 -0.740827D+01  0.852243D+01  0.222086D+01
      3   0.781755D-01  0.101657D+01  0.621609D+00  0.152332D+01 -0.469732D+01
                46            47            48            49            50 
      1   0.339822D+00 -0.253682D+00 -0.729921D+00 -0.132349D+00 -0.108927D+01
      2  -0.737139D-01 -0.180684D+00  0.669876D+01 -0.269966D+01 -0.105846D+00
      3  -0.331645D+01 -0.610127D+01  0.107487D+00  0.110745D+02 -0.377033D+01
                51            52            53            54            55 
      1   0.163388D+01 -0.178790D+01  0.108160D+02  0.144482D+01 -0.646957D+00
      2   0.129754D+01  0.692277D+01  0.245687D+01  0.115050D+01  0.555122D+01
      3   0.201986D+00  0.150813D+01  0.540891D-01 -0.128034D+01 -0.386914D+01
                56            57            58            59            60 
      1  -0.323824D+00  0.305934D+00  0.129213D+01  0.203540D+01 -0.276472D+01
      2   0.126860D+01 -0.304606D+01 -0.544618D+00 -0.537468D+01  0.238828D+01
      3   0.420277D+00 -0.628705D+00  0.113416D+02  0.130445D+02  0.614638D+01
                61            62            63            64            65 
      1   0.144126D+01  0.235019D+01 -0.153117D+01 -0.642053D+00  0.289655D+01
      2  -0.158971D+02  0.558163D+00  0.284997D+01 -0.188799D+01 -0.169958D+01
      3   0.938048D+00  0.662106D+01 -0.440279D+01  0.651427D+01 -0.943478D+01
                66            67            68            69            70 
      1   0.114427D+01 -0.462496D+00  0.791033D+01 -0.223512D+01 -0.445613D+00
      2   0.186872D+02  0.105723D+01  0.262505D+01  0.309488D-01  0.747624D+01
      3   0.358311D+01 -0.124748D+01 -0.157444D+02 -0.366948D+01  0.138878D+01
                71            72            73            74            75 
      1   0.528228D+01 -0.283673D+01  0.294742D+01 -0.237799D+01  0.343839D+00
      2   0.595857D+00 -0.118987D+02 -0.119998D+02 -0.459560D+01  0.137664D+02
      3  -0.495360D+01 -0.404424D+00  0.559692D+01 -0.695307D+01  0.108943D+01
                76            77            78            79            80 
      1   0.102543D-01 -0.673543D+01 -0.853879D+01 -0.102419D+01 -0.323302D+01
      2  -0.327768D+01  0.106530D+02 -0.596398D+01  0.797940D+01 -0.450042D+01
      3  -0.701833D+00 -0.120871D+02 -0.106196D+02 -0.688138D+00 -0.102223D+02
                81            82            83            84            85 
      1   0.442462D+01  0.335466D-01 -0.154072D+01 -0.132336D+01 -0.762986D+00
      2   0.418261D+01  0.452404D+01  0.884327D-01 -0.845655D+01 -0.144225D+01
      3   0.611655D+01 -0.806381D+00  0.926726D+00 -0.640859D+00  0.133727D+01
                86            87            88            89            90 
      1  -0.238293D+00  0.133899D+00 -0.779799D+00  0.246722D+01  0.232531D+01
      2   0.180755D+01  0.818386D+00 -0.755033D+01 -0.143501D+01  0.215956D+02
      3   0.711467D+00 -0.134755D+01 -0.543690D+00 -0.161787D+01  0.288647D+01
                91            92            93            94            95 
      1  -0.112398D+00 -0.180731D+00 -0.695672D+00 -0.272206D+00  0.365919D-01
      2   0.292351D+00  0.182939D+00  0.197856D+01 -0.556003D-01  0.264713D+01
      3  -0.385070D+01 -0.221667D+01 -0.220139D+00  0.218843D+01 -0.139066D+02
                96            97            98            99           100 
      1  -0.328351D+01 -0.555427D+00  0.744837D+00 -0.904368D+00 -0.136428D+01
      2   0.292778D+01  0.412539D+00  0.193273D+01  0.158279D+01 -0.457810D+01
      3  -0.290738D+01  0.309589D+00 -0.269094D+01 -0.140150D+01 -0.314388D+01
               101           102           103           104           105 
      1   0.217444D+01 -0.433726D-01  0.114321D+01 -0.317717D+01  0.136158D+01
      2   0.306915D+01 -0.583136D+01  0.299842D+01 -0.654855D+01  0.727649D+01
      3   0.227648D+01 -0.205758D+01  0.308678D+01 -0.478491D+01  0.576886D+01
               106           107           108           109           110 
      1  -0.125667D+00  0.428481D+01 -0.182838D+01 -0.169569D+01 -0.221710D+01
      2  -0.537942D+01  0.630770D+01 -0.139225D+02  0.107941D+02  0.166419D+01
      3  -0.128832D+01  0.470411D+01 -0.608943D+01 -0.101123D+01 -0.587094D+01
               111           112           113           114           115 
      1  -0.654175D+00 -0.186185D+01 -0.990127D-01 -0.258151D+00 -0.834599D-01
      2   0.499660D+01  0.184812D+01  0.637284D-01  0.184641D+01  0.979444D+00
      3   0.539876D-01 -0.267697D+01 -0.722927D+00  0.137006D+01  0.226085D+00
               116           117           118           119           120 
      1   0.840444D+00 -0.622366D+00  0.148337D+01  0.709872D+00 -0.226393D+00
      2   0.864670D+00  0.117584D+01 -0.930459D+00 -0.982645D+00 -0.151083D+01
      3   0.116751D+01 -0.855717D+00  0.265581D+01  0.834307D+00  0.171056D+00
               121           122           123           124           125 
      1   0.697999D-01  0.104534D+02  0.108521D+01 -0.167968D+00  0.402904D+01
      2  -0.128542D+01 -0.596874D+01 -0.512246D+01 -0.181226D+01 -0.274411D+01
      3   0.194595D+01  0.162135D+02  0.588565D+01 -0.204801D+00  0.427087D+01
               126           127           128           129           130 
      1   0.161730D+01  0.652518D+00 -0.422646D+00  0.237796D+01  0.304321D+00
      2  -0.418376D+01  0.116451D+01 -0.400691D+00  0.815744D+00 -0.578902D+00
      3   0.314076D+01 -0.105891D+02  0.433532D+01 -0.174570D+00  0.742966D+01
               131           132           133           134           135 
      1   0.141160D+00 -0.309128D+01  0.102713D-01  0.172313D+01  0.177694D-01
      2   0.605634D+00 -0.136267D+01 -0.190768D+01  0.282711D+00 -0.182558D+00
      3  -0.578210D+01 -0.905379D+00 -0.882331D+00 -0.845414D+00 -0.199908D+00
               136           137           138           139           140 
      1  -0.733826D-01 -0.450644D-02 -0.163011D+01 -0.447329D-01  0.376660D+00
      2   0.848568D-01  0.258221D+00  0.145081D+01  0.248830D+00  0.144721D+01
      3  -0.587921D+00 -0.212579D+01 -0.186340D+00 -0.145918D+01 -0.140588D+02
               141           142           143           144           145 
      1  -0.440619D+01  0.503901D+00  0.155404D+01 -0.364184D+00 -0.523716D-01
      2   0.300525D+01 -0.495658D+00 -0.297126D-01  0.494518D+00  0.567067D+00
      3  -0.139468D+01 -0.336731D+00 -0.164409D+01 -0.391549D+00 -0.937334D+00
               146           147           148           149           150 
      1   0.180294D+00 -0.677889D+00  0.118331D-01  0.113432D-01 -0.378737D+00
      2  -0.679392D-02  0.623988D+01  0.881598D+00  0.205030D+00  0.900253D+00
      3  -0.529742D+01  0.541928D-01 -0.408179D+01 -0.172896D+01 -0.242325D+00
               151           152           153           154           155 
      1   0.451709D+00  0.577941D+00 -0.452241D-02  0.118883D+00 -0.363624D+00
      2  -0.256839D+01 -0.193769D+00  0.686273D-01 -0.351025D-01 -0.404248D-01
      3  -0.596004D+00 -0.329556D+00 -0.183982D-01  0.167175D+01 -0.465515D+01
               156           157           158           159           160 
      1   0.229076D+01  0.215396D+00  0.215672D-01 -0.324457D+01 -0.680492D+00
      2   0.296310D+01  0.590163D+00 -0.893966D+00 -0.342895D+01 -0.718418D+00
      3  -0.105119D+00 -0.367108D+01  0.111312D+02  0.802242D+00 -0.701943D+00
               161           162           163           164           165 
      1   0.133372D+01 -0.132591D+00  0.126747D+00  0.248494D-01 -0.152579D+01
      2   0.312329D+00 -0.273657D+00 -0.804881D+00 -0.658008D+00  0.175476D+00
      3   0.127815D+01  0.127779D+00  0.621551D+01  0.415730D+01  0.582904D+00
               166           167           168           169           170 
      1   0.341750D-02  0.478531D+00 -0.419595D+01  0.478583D+00  0.172948D+01
      2  -0.693134D+00 -0.125071D+01  0.381250D+00 -0.161006D+01 -0.258953D+00
      3   0.704282D+01  0.910647D+01  0.124091D+01  0.107660D+01  0.138649D+01
               171           172           173           174           175 
      1  -0.332227D+00  0.151746D+00  0.761224D+00 -0.457316D-01  0.104470D+01
      2  -0.204016D-01 -0.177907D-01  0.783087D-01 -0.232910D+00  0.420776D+00
      3   0.390568D-02  0.179266D+01 -0.111303D+01 -0.111386D+00  0.912027D+00
               176           177           178           179           180 
      1  -0.960169D+01 -0.242760D+01  0.152523D+00 -0.105352D+01 -0.173898D+01
      2  -0.824139D+00 -0.337441D+01 -0.579292D+00 -0.159571D+01 -0.708595D+00
      3   0.191318D+02  0.211060D-01  0.100072D+01  0.355386D+01  0.208652D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.345328D+01  0.245601D+02  0.280710D+01 -0.267403D+02  0.570889D+01
      2  -0.549681D+00 -0.162851D+02 -0.378001D+00  0.260522D+02 -0.102737D+02
      3   0.400296D+01 -0.827503D+01 -0.242910D+01  0.688086D+00  0.456485D+01
      4   0.160455D+02  0.105829D+01  0.562313D+00 -0.648753D+00  0.110610D+02
      5   0.552913D+00  0.439295D+00  0.508287D+01 -0.317191D+01  0.442977D+01
      6   0.583768D-01 -0.125457D+01 -0.551885D+01  0.385279D+01 -0.365227D+01
                 6             7             8             9            10 
      1   0.415873D+00 -0.395222D+01  0.199548D+01  0.167798D+01  0.147287D+02
      2  -0.660241D+00  0.531596D+01 -0.414244D+01 -0.801627D+01 -0.101135D+02
      3   0.244368D+00 -0.136374D+01  0.214696D+01  0.633829D+01 -0.461521D+01
      4   0.456581D+01 -0.190662D+01  0.509292D+01 -0.149557D+02 -0.652209D+01
      5  -0.108085D+02  0.187472D+02 -0.153392D+02 -0.413134D+01 -0.304181D+00
      6   0.337276D+01 -0.767137D+01  0.116165D+02 -0.538455D+00 -0.616485D+00
                11            12            13            14            15 
      1  -0.116572D+02 -0.481627D+00 -0.764962D+00  0.112916D+02  0.275949D+01
      2   0.933542D+01  0.785055D-02 -0.905041D+01 -0.173165D+02 -0.436626D+01
      3   0.232178D+01  0.473776D+00  0.981537D+01  0.602488D+01  0.160676D+01
      4  -0.163316D+02 -0.151369D+01  0.102986D+02 -0.136995D+02 -0.730863D+00
      5  -0.134280D+01 -0.361361D+01  0.287242D+00 -0.994792D+00 -0.134095D+01
      6  -0.309207D+00  0.337620D+01 -0.268392D+01 -0.590134D+01  0.589263D+01
                16            17            18            19            20 
      1   0.115110D+01  0.236935D+01 -0.152418D+02 -0.194885D+02 -0.381311D+01
      2  -0.281220D+01 -0.601802D+01  0.231257D+01  0.489749D+01  0.245064D+01
      3   0.166110D+01  0.364867D+01  0.129292D+02  0.145910D+02  0.136246D+01
      4  -0.518166D+00 -0.119694D+01 -0.659212D+01 -0.241023D+01  0.211778D+01
      5   0.574389D+01 -0.497100D+01 -0.185303D+01 -0.268690D+01 -0.679827D+00
      6   0.192685D+01  0.159796D+02  0.237710D+01 -0.175095D+01  0.407911D+00
                21            22            23            24            25 
      1  -0.121890D+01  0.292389D+01 -0.138909D+02 -0.819943D+00 -0.217706D+01
      2  -0.149925D+00 -0.647812D+01  0.200385D+02  0.396269D+01 -0.682028D+00
      3   0.136882D+01  0.355423D+01 -0.614762D+01 -0.314275D+01  0.285909D+01
      4  -0.378982D+00 -0.146081D+02 -0.167046D+01  0.166930D+00 -0.287419D+01
      5   0.249152D+01 -0.329147D+01 -0.113934D+00 -0.133726D+01  0.514305D+01
      6   0.202805D+01 -0.238333D+01  0.342400D+01 -0.355210D+01  0.238634D+01
                26            27            28            29            30 
      1  -0.189287D+01 -0.671596D+01 -0.322079D+01  0.168070D+02  0.196896D+01
      2   0.298940D+01 -0.518824D+01  0.225627D+01 -0.125873D+02  0.512153D+00
      3  -0.109653D+01  0.119042D+02  0.964517D+00 -0.421972D+01 -0.248112D+01
      4   0.103078D+01 -0.702588D-01  0.143157D+02 -0.104435D+02 -0.309803D+00
      5  -0.102181D+00 -0.187512D+01 -0.201941D+00 -0.537326D+00 -0.309601D+01
      6   0.365444D+01 -0.118905D+01  0.123633D+01 -0.859997D+00 -0.538169D+01
                31            32            33            34            35 
      1  -0.651188D+01  0.605973D+01  0.220664D+01 -0.182980D+01  0.333916D+01
      2   0.170458D+02 -0.948598D+01 -0.167341D+01  0.464251D+01 -0.436685D+01
      3  -0.105339D+02  0.342624D+01 -0.533228D+00 -0.281272D+01  0.102769D+01
      4   0.619440D+01  0.151310D+02  0.162267D+01  0.168676D+01  0.804242D+00
      5   0.683201D+00  0.179154D+01 -0.286151D+00  0.161588D+01  0.133715D+01
      6   0.485760D+01 -0.312568D+01  0.450016D+01 -0.615739D+01  0.115580D+02
                36            37            38            39            40 
      1  -0.146875D+02  0.123689D+02 -0.217863D+02 -0.182733D+01  0.190878D+02
      2   0.190195D+01 -0.132796D+02  0.147177D+02  0.185080D+00 -0.174406D+02
      3   0.127855D+02  0.910675D+00  0.706868D+01  0.164225D+01 -0.164725D+01
      4   0.321465D+01 -0.180947D+02 -0.649519D+01 -0.189956D+01  0.105467D+02
      5  -0.637314D+00 -0.146758D+01 -0.154556D+01  0.252878D+00 -0.499028D+00
      6  -0.891876D+00 -0.276453D+01 -0.229813D+00  0.400959D+01 -0.243741D+01
                41            42            43            44            45 
      1   0.129380D+02  0.210585D+01  0.204637D+01  0.492066D+00 -0.524409D+01
      2  -0.191184D+02 -0.357552D+01 -0.386373D+01 -0.488482D+01 -0.296560D+01
      3   0.618041D+01  0.146967D+01  0.181736D+01  0.439276D+01  0.820970D+01
      4  -0.623707D+01 -0.337429D+01 -0.181978D+01 -0.520724D+01  0.139972D+02
      5  -0.329068D+01  0.949611D+01  0.118695D+02  0.145213D+02  0.471511D+01
      6  -0.598411D+01  0.555597D+01  0.673211D+01  0.151156D+02  0.212633D+01
                46            47            48            49            50 
      1  -0.150136D+02 -0.435449D+01 -0.225672D+01  0.108037D+02 -0.237678D+02
      2   0.106915D+02  0.303348D+01  0.107318D+01 -0.104071D+02  0.213596D+02
      3   0.432208D+01  0.132101D+01  0.118354D+01 -0.396638D+00  0.240815D+01
      4  -0.231950D+01  0.206374D+02  0.439170D+00 -0.199990D+02 -0.232451D+01
      5  -0.269779D+01  0.198414D+00  0.147159D+02 -0.589808D+01 -0.135556D+01
      6   0.865715D+00  0.104639D+00  0.178052D+01 -0.185162D+01  0.249529D+01
                51            52            53            54            55 
      1  -0.428251D+01 -0.120080D+01 -0.457387D+01  0.134515D+02  0.113777D+02
      2   0.491874D+01 -0.942141D+00  0.364472D+01 -0.170954D+02 -0.400938D+01
      3  -0.636229D+00  0.214294D+01  0.929149D+00  0.364393D+01 -0.736834D+01
      4  -0.167755D+01 -0.673040D+01 -0.847271D+00  0.383236D+01  0.496379D+01
      5   0.282417D+01  0.359459D+02  0.404679D+01  0.266999D+01  0.486897D+01
      6  -0.280454D+01  0.258986D+01  0.451967D+01 -0.217483D+01 -0.438692D+00
                56            57            58            59            60 
      1   0.352260D+00  0.991453D+00  0.140139D+02  0.693665D+01  0.474524D+01
      2  -0.691726D+00 -0.333393D+01 -0.138122D+02 -0.154512D+02 -0.743884D+01
      3   0.339466D+00  0.234247D+01 -0.201709D+00  0.851459D+01  0.269360D+01
      4  -0.629554D+01  0.228208D+01 -0.679833D+01 -0.260337D+02 -0.102540D+02
      5   0.180851D+01 -0.166567D+02  0.935101D+01 -0.887119D+01  0.751964D+01
      6  -0.132822D+01  0.101813D+01 -0.305402D+01 -0.493859D+01 -0.294637D+00
                61            62            63            64            65 
      1  -0.293222D+01  0.248716D+01 -0.967491D+01  0.237805D+02 -0.888571D+00
      2  -0.344635D+01 -0.309400D+01  0.117278D+02 -0.128619D+02 -0.705132D+00
      3   0.637857D+01  0.606839D+00 -0.205289D+01 -0.109186D+02  0.159370D+01
      4   0.593083D+01 -0.982575D+01  0.200223D+01 -0.797810D+01  0.122278D+02
      5  -0.358805D+02  0.126093D+01  0.654889D+01  0.106700D+02 -0.507500D+01
      6  -0.268670D+00 -0.341395D+01  0.113641D+01 -0.424752D+01  0.456931D+01
                66            67            68            69            70 
      1  -0.631321D+01 -0.895172D+01  0.743695D+01 -0.232171D+01 -0.953196D+00
      2  -0.755995D+01  0.800494D+01 -0.111811D+02  0.676577D+00 -0.887363D+01
      3   0.138732D+02  0.946774D+00  0.374410D+01  0.164514D+01  0.982683D+01
      4  -0.391052D+01  0.135557D+02  0.218484D+02  0.812181D+01 -0.415304D+01
      5   0.275553D+02 -0.700996D+01  0.961499D+01 -0.315425D+01  0.329428D+02
      6  -0.405529D+01  0.591554D+01  0.721311D+01  0.542971D+01 -0.339658D+01
                71            72            73            74            75 
      1   0.114401D+01  0.244826D+02 -0.499755D+02 -0.132038D+02  0.128668D+02
      2  -0.262138D+01 -0.925062D+01  0.232584D+02  0.452307D+01  0.459546D+00
      3   0.147738D+01 -0.152319D+02  0.267171D+02  0.868076D+01 -0.133264D+02
      4   0.800270D+01 -0.458235D+01 -0.165831D+02  0.504902D+01 -0.161628D+01
      5  -0.185137D+01  0.657898D+01  0.162463D+02  0.145515D+01  0.141073D+02
      6   0.626302D+01 -0.154037D+01  0.645622D+01 -0.492816D+01  0.346914D+01
                76            77            78            79            80 
      1  -0.148839D+02  0.128140D+02 -0.596048D+01  0.183380D+01 -0.800190D+01
      2   0.916456D+01 -0.228239D+01 -0.130132D+01  0.958832D+01  0.182795D+00
      3   0.571931D+01 -0.105316D+02  0.726181D+01 -0.114221D+02  0.781910D+01
      4   0.283609D+01  0.196949D+02  0.148298D+02 -0.314097D+01  0.134318D+02
      5   0.265034D+01  0.111961D+02 -0.546504D+01  0.245869D+02 -0.288395D+01
      6  -0.122291D+01 -0.929309D+01 -0.124538D+02  0.317622D+01 -0.980345D+01
                81            82            83            84            85 
      1   0.188100D+02  0.875990D+00  0.669521D-01  0.122199D+02  0.308037D+01
      2  -0.133895D+02 -0.261180D+01  0.102974D+00  0.302043D+01 -0.157174D+01
      3  -0.542047D+01  0.173581D+01 -0.169926D+00 -0.152403D+02 -0.150863D+01
      4  -0.456973D+01  0.732736D+00 -0.157429D+01 -0.376233D+00  0.772064D+00
      5  -0.126195D+02  0.172639D+01  0.101979D+01 -0.603568D+01  0.240377D+00
      6   0.807452D+01  0.516915D+00 -0.183620D+01  0.143823D+01 -0.308306D+00
                86            87            88            89            90 
      1  -0.392996D+01 -0.425295D+00  0.930406D+01  0.185204D+01 -0.271835D+02
      2   0.852220D+00 -0.329033D+00 -0.126911D+01 -0.671729D+00 -0.103398D+02
      3   0.307774D+01  0.754328D+00 -0.803496D+01 -0.118031D+01  0.375232D+02
      4  -0.103492D+01  0.280255D+01 -0.177568D+01  0.285817D+01  0.248027D-01
      5   0.199323D+01  0.602440D+00  0.142884D+01 -0.192518D+01  0.231933D+02
      6  -0.758667D+00  0.610451D+01  0.620477D+00  0.441975D+01 -0.456848D+01
                91            92            93            94            95 
      1   0.126580D+01  0.351748D+01  0.112291D+01  0.895190D+00 -0.134062D+02
      2   0.316253D+01 -0.693532D-01  0.166451D+00  0.347949D+01  0.264476D+02
      3  -0.442833D+01 -0.344813D+01 -0.128936D+01 -0.437468D+01 -0.130414D+02
      4   0.806838D+01  0.100708D+02  0.186473D+01  0.109288D+02  0.307147D+02
      5   0.189057D+01  0.184705D+01  0.491494D+01  0.124810D+01  0.494029D+01
      6   0.225325D+01  0.937069D+00  0.399545D+00  0.112302D+01  0.801988D+01
                96            97            98            99           100 
      1  -0.280807D+01  0.711103D+00 -0.270881D+01 -0.260657D+01 -0.294356D+01
      2   0.398743D+01  0.407216D+00  0.280627D+01  0.193884D+01 -0.354784D+00
      3  -0.117936D+01 -0.111832D+01 -0.974623D-01  0.667726D+00  0.329835D+01
      4   0.547988D+01  0.165820D+01  0.551126D+01  0.539362D+01  0.232521D+01
      5   0.635741D+01  0.625242D+01  0.496181D+01  0.343489D+01 -0.343341D-01
      6   0.579083D+01  0.160408D+01  0.776588D+01  0.370266D+01 -0.394147D+01
               101           102           103           104           105 
      1   0.694617D+01 -0.108572D+02  0.652341D+01 -0.121487D+02  0.111216D+02
      2  -0.265156D+01 -0.188131D+00 -0.361940D+01  0.522942D+01  0.141110D+00
      3  -0.429461D+01  0.110453D+02 -0.290402D+01  0.691932D+01 -0.112627D+02
      4  -0.185122D+01  0.116046D+01  0.135692D+01  0.726075D+01 -0.926575D+01
      5  -0.718740D+00 -0.266764D+01 -0.414114D+01 -0.673974D+01  0.935304D+01
      6   0.461052D+01 -0.468941D+01  0.122937D+01 -0.110323D+02  0.133486D+02
               106           107           108           109           110 
      1  -0.593440D+01  0.999118D+01 -0.226765D+02  0.802057D+02  0.926646D+01
      2   0.856387D+00  0.628994D+00 -0.599462D+01 -0.422092D+02 -0.349610D+01
      3   0.507801D+01 -0.106202D+02  0.286711D+02 -0.379965D+02 -0.577037D+01
      4  -0.279984D+00 -0.785972D+01  0.846227D+01  0.159688D+02  0.119237D+02
      5   0.345048D+01  0.687824D+01 -0.159648D+02 -0.320852D+02 -0.385224D+01
      6  -0.153242D+01  0.113284D+02 -0.143760D+02 -0.508405D+01 -0.368796D+01
               111           112           113           114           115 
      1  -0.789172D+01  0.106794D+02  0.707500D+01  0.259103D-01  0.237259D+01
      2   0.779733D+01 -0.418824D+01 -0.261515D+01  0.124855D+01  0.146667D+01
      3   0.943956D-01 -0.649112D+01 -0.445985D+01 -0.127446D+01 -0.383925D+01
      4  -0.202232D+01  0.144979D+02  0.468256D+01 -0.323669D+01  0.128858D+00
      5   0.149396D+02 -0.547421D+01 -0.470039D+01  0.382733D+01  0.931526D+01
      6   0.145484D+01 -0.386785D+01 -0.949797D+00  0.311742D+01  0.104182D+01
               116           117           118           119           120 
      1   0.936401D+00  0.515103D+01  0.445939D+01 -0.316804D+01 -0.435711D+01
      2   0.660012D+00 -0.369383D+01 -0.179229D+01  0.200388D+01  0.619500D+00
      3  -0.159641D+01 -0.145720D+01 -0.266711D+01  0.116416D+01  0.373761D+01
      4  -0.861813D+00  0.276126D+01 -0.256561D+01  0.163828D+01  0.918106D+00
      5   0.223048D+01 -0.230514D+01 -0.316566D+01  0.222986D+01 -0.279206D+00
      6   0.203935D+01 -0.127662D+01  0.234544D+01  0.765697D+00 -0.750165D-01
               121           122           123           124           125 
      1  -0.542142D+01 -0.928143D+01 -0.406929D+01 -0.173840D+01 -0.354008D+01
      2   0.351263D+01  0.827771D+01 -0.175974D+01  0.110468D+01 -0.841165D+00
      3   0.190879D+01  0.100372D+01  0.582902D+01  0.633715D+00  0.438124D+01
      4   0.628335D+01 -0.273756D+02 -0.107417D+02  0.165269D+01 -0.749170D+01
      5   0.735813D+01 -0.919682D+01 -0.112547D+02  0.200457D+01 -0.551841D+01
      6  -0.181818D+01  0.192857D+02  0.112771D+02 -0.124595D+01  0.972439D+01
               126           127           128           129           130 
      1  -0.740000D+01 -0.476399D+01  0.711991D+01  0.736096D+00  0.770604D+01
      2  -0.496622D+00  0.648329D+01 -0.101756D+02 -0.717958D+00 -0.110397D+02
      3   0.789662D+01 -0.171930D+01  0.305567D+01 -0.181381D-01  0.333364D+01
      4  -0.599549D+01 -0.879757D+01  0.853697D+01  0.639291D+00  0.848017D+01
      5  -0.648877D+01  0.198955D+00  0.715711D+00  0.204562D+01  0.836876D+00
      6   0.604511D+01  0.573163D+00 -0.597691D+00 -0.243793D+01 -0.114122D+01
               131           132           133           134           135 
      1  -0.208378D+02 -0.181864D+01  0.121485D+01 -0.178879D+01 -0.662845D+00
      2   0.282979D+02  0.144636D+01 -0.156419D+01  0.216134D+01  0.149563D+01
      3  -0.746006D+01  0.372287D+00  0.349344D+00 -0.372553D+00 -0.832781D+00
      4  -0.874493D+01 -0.358991D+00  0.965336D+00 -0.410576D+00 -0.210253D+01
      5  -0.564371D+00 -0.152955D+01  0.952503D+00 -0.691256D+00 -0.456418D+00
      6   0.252450D+01  0.500239D+01 -0.619061D+00  0.210986D+01  0.925905D+00
               136           137           138           139           140 
      1   0.534146D+01  0.472894D+01  0.522899D+00 -0.128905D+01 -0.169762D+02
      2   0.381143D+01  0.550965D+01  0.215904D+00  0.123345D+02  0.406887D+02
      3  -0.915290D+01 -0.102386D+02 -0.738803D+00 -0.110455D+02 -0.237125D+02
      4   0.187216D+02  0.232445D+02  0.267637D+01  0.244193D+02  0.481264D+02
      5   0.236827D+01  0.265039D+01  0.371371D+01  0.275050D+01  0.493248D+01
      6   0.177208D+01  0.207378D+01  0.243754D+01  0.284842D+01  0.699088D+01
               141           142           143           144           145 
      1  -0.201479D+01 -0.300390D-01 -0.174772D+01 -0.169342D+01  0.994422D+02
      2   0.309432D+01  0.120362D+01  0.376459D+01  0.289103D+01 -0.559215D+02
      3  -0.107953D+01 -0.117358D+01 -0.201687D+01 -0.119762D+01 -0.435207D+02
      4   0.509871D+01  0.314187D+01  0.588111D+01  0.308982D+01  0.156726D+02
      5   0.524027D+01  0.144758D+01  0.233771D+01  0.144923D+01  0.489778D+01
      6   0.774642D+01  0.184435D+01  0.412111D+01  0.202241D+01 -0.972477D+00
               146           147           148           149           150 
      1   0.986007D+01  0.310787D+01  0.838125D+01  0.100486D+02  0.954301D+00
      2  -0.484652D+01 -0.213438D+01 -0.348737D+01 -0.448781D+01 -0.735245D+00
      3  -0.501355D+01 -0.973488D+00 -0.489388D+01 -0.556082D+01 -0.219056D+00
      4   0.100579D+02  0.361864D+00  0.165709D+02  0.515966D+01  0.754099D+00
      5   0.351109D+00  0.107436D+02  0.195618D+01  0.785492D+00  0.138850D+01
      6   0.103481D+00  0.912842D+00  0.424768D+00  0.576773D-03  0.149846D+01
               151           152           153           154           155 
      1   0.359979D+01  0.104246D+01  0.404238D+01  0.226941D+02 -0.142184D+02
      2  -0.204233D+01 -0.563835D+00 -0.245183D+01 -0.404861D+01 -0.945061D+00
      3  -0.155747D+01 -0.478622D+00 -0.159054D+01 -0.186454D+02  0.151634D+02
      4   0.215865D+01  0.793715D+00  0.762758D+00 -0.341069D+02  0.307804D+02
      5   0.353702D+01  0.444689D+00  0.586793D+00 -0.334048D+01  0.233094D+01
      6   0.265140D+00  0.680634D+00  0.204405D+00  0.126140D+01 -0.103077D+01
               156           157           158           159           160 
      1  -0.139138D+01 -0.923351D+01  0.352638D+01  0.433788D+00 -0.496368D+00
      2   0.575394D+00 -0.668682D+01  0.171466D+02  0.407156D+00 -0.638866D+00
      3   0.815985D+00  0.159203D+02 -0.206729D+02 -0.840943D+00  0.113523D+01
      4   0.221823D+01  0.341399D+02 -0.445635D+02 -0.376405D+01  0.334928D+01
      5   0.590976D+01  0.354385D+01 -0.397470D+01 -0.564371D+01  0.241278D+01
      6  -0.326753D+01 -0.217573D+01  0.296908D+01  0.564728D+01 -0.198360D+01
               161           162           163           164           165 
      1   0.875150D-01  0.196765D+00 -0.546566D+01 -0.892230D+01 -0.127664D+01
      2   0.139437D+01  0.122200D+01  0.708480D+01  0.109544D+02  0.917009D+00
      3  -0.148189D+01 -0.141876D+01 -0.161914D+01 -0.203208D+01  0.359632D+00
      4  -0.420130D+01 -0.324923D+01  0.341144D+01  0.735113D+01  0.730501D+00
      5  -0.276259D+01 -0.104157D+01  0.484926D+00  0.605248D+00  0.109899D+01
      6   0.294641D+01  0.111358D+01  0.129918D+01  0.185859D+01  0.209744D+01
               166           167           168           169           170 
      1  -0.712102D+01 -0.343273D+02 -0.411606D+01 -0.123387D+01 -0.438696D+01
      2   0.900996D+01  0.469506D+02  0.395663D+01  0.145012D+01  0.512805D+01
      3  -0.188893D+01 -0.126233D+02  0.159433D+00 -0.216253D+00 -0.741096D+00
      4   0.516268D+01 -0.150226D+01 -0.467592D+00  0.700293D+00 -0.223983D+00
      5   0.668605D+00 -0.623849D+00 -0.548263D-01  0.215630D+00  0.637718D+00
      6   0.135729D+01  0.693505D+01  0.721694D+01  0.680169D+00  0.349295D+01
               171           172           173           174           175 
      1  -0.229354D+01  0.484391D+01 -0.152258D+01  0.254611D+01 -0.302254D+01
      2   0.316632D+01 -0.242331D+01 -0.230159D-01 -0.159669D+01 -0.113189D+01
      3  -0.872779D+00 -0.242060D+01  0.154559D+01 -0.949414D+00  0.415444D+01
      4   0.141277D+01 -0.107998D+01  0.444476D+01  0.778824D+00  0.880545D+01
      5   0.224533D+00  0.284271D+01  0.704574D+00  0.768130D+00 -0.208862D+01
      6   0.177795D+01  0.117810D+01  0.631584D+00  0.100365D+01  0.209944D+01
               176           177           178           179           180 
      1  -0.603460D+01  0.213173D+01 -0.264439D+00  0.116782D+01 -0.239242D+01
      2   0.184536D+02  0.147279D+01 -0.410082D+00  0.210731D+01  0.156533D+01
      3  -0.124190D+02 -0.360452D+01  0.674520D+00 -0.327513D+01  0.827088D+00
      4  -0.307251D+02  0.119297D+01  0.182607D+01 -0.528041D+01 -0.283632D+01
      5   0.742162D+00 -0.573400D+01  0.106288D+01 -0.284380D+01 -0.126489D+01
      6  -0.116177D+02  0.359514D+01 -0.224476D+00  0.202925D+01 -0.346200D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:01:44 2021, MaxMem=  5368709120 cpu:            6785.7 elap:             850.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.59644 -10.47147 -10.44872 -10.44648 -10.44582
 Alpha  occ. eigenvalues --  -10.44484 -10.44411 -10.44362 -10.42827  -1.02866
 Alpha  occ. eigenvalues --   -0.99047  -0.89478  -0.87952  -0.85050  -0.75543
 Alpha  occ. eigenvalues --   -0.73076  -0.69748  -0.64402  -0.61365  -0.58219
 Alpha  occ. eigenvalues --   -0.57245  -0.55390  -0.53900  -0.53253  -0.50686
 Alpha  occ. eigenvalues --   -0.48719  -0.47328  -0.46332  -0.45021  -0.43946
 Alpha  occ. eigenvalues --   -0.36437  -0.35423  -0.33723
 Alpha virt. eigenvalues --    0.04985   0.05912   0.06311   0.06574   0.06739
 Alpha virt. eigenvalues --    0.08528   0.09217   0.09748   0.11342   0.13237
 Alpha virt. eigenvalues --    0.14225   0.16531   0.17174   0.17381   0.19302
 Alpha virt. eigenvalues --    0.20266   0.20597   0.20941   0.21228   0.21891
 Alpha virt. eigenvalues --    0.23006   0.23336   0.24544   0.24690   0.25630
 Alpha virt. eigenvalues --    0.27019   0.27844   0.28720   0.29155   0.29879
 Alpha virt. eigenvalues --    0.30161   0.30973   0.31450   0.32171   0.33406
 Alpha virt. eigenvalues --    0.33617   0.34047   0.34881   0.35378   0.35640
 Alpha virt. eigenvalues --    0.36187   0.36895   0.37612   0.38342   0.39033
 Alpha virt. eigenvalues --    0.39658   0.39955   0.40104   0.41036   0.41941
 Alpha virt. eigenvalues --    0.42048   0.42736   0.43690   0.43995   0.44318
 Alpha virt. eigenvalues --    0.44559   0.45346   0.45689   0.46395   0.46802
 Alpha virt. eigenvalues --    0.46849   0.47276   0.47961   0.48699   0.48825
 Alpha virt. eigenvalues --    0.49591   0.50410   0.50510   0.50788   0.52343
 Alpha virt. eigenvalues --    0.53089   0.53585   0.53835   0.54695   0.55328
 Alpha virt. eigenvalues --    0.56648   0.56992   0.57778   0.58418   0.59502
 Alpha virt. eigenvalues --    0.60461   0.62204   0.62569   0.63716   0.64235
 Alpha virt. eigenvalues --    0.64550   0.66094   0.66821   0.67943   0.68206
 Alpha virt. eigenvalues --    0.69533   0.69774   0.70759   0.71853   0.73105
 Alpha virt. eigenvalues --    0.73700   0.74390   0.74896   0.76457   0.77605
 Alpha virt. eigenvalues --    0.78955   0.80389   0.81160   0.82306   0.83430
 Alpha virt. eigenvalues --    0.84869   0.85622   0.85927   0.87968   0.89644
 Alpha virt. eigenvalues --    0.95961   0.96882   0.98885   1.01390   1.02575
 Alpha virt. eigenvalues --    1.03910   1.05005   1.05362   1.06258   1.06693
 Alpha virt. eigenvalues --    1.07642   1.09204   1.09972   1.11464   1.12492
 Alpha virt. eigenvalues --    1.13533   1.15821   1.17551   1.18012   1.18927
 Alpha virt. eigenvalues --    1.19868   1.21283   1.22863   1.23456   1.24776
 Alpha virt. eigenvalues --    1.25190   1.27334   1.29189   1.29938   1.31403
 Alpha virt. eigenvalues --    1.33858   1.34532   1.34986   1.37421   1.40183
 Alpha virt. eigenvalues --    1.41269   1.43794   1.45573   1.47203   1.50926
 Alpha virt. eigenvalues --    1.52544   1.58258   1.59846   1.62681   1.65004
 Alpha virt. eigenvalues --    1.67059   1.68332   1.69638   1.71072   1.72917
 Alpha virt. eigenvalues --    1.74970   1.78104   1.82286   1.82747   1.83253
 Alpha virt. eigenvalues --    1.84500   1.88060   1.90269   1.91907   1.93517
 Alpha virt. eigenvalues --    1.94050   1.97633   1.97849   1.99411   2.00488
 Alpha virt. eigenvalues --    2.02293   2.05337   2.05841   2.08195   2.09836
 Alpha virt. eigenvalues --    2.10164   2.12693   2.13340   2.14276   2.16376
 Alpha virt. eigenvalues --    2.17014   2.18268   2.20784   2.22212   2.24337
 Alpha virt. eigenvalues --    2.25892   2.28854   2.29421   2.31319   2.34455
 Alpha virt. eigenvalues --    2.35947   2.37569   2.38443   2.40127   2.45239
 Alpha virt. eigenvalues --    2.47478   2.49557   2.49928   2.53077   2.54441
 Alpha virt. eigenvalues --    2.54683   2.58157   2.59863   2.61616   2.65789
 Alpha virt. eigenvalues --    2.67979   2.73609   2.75734   2.79124   2.83775
 Alpha virt. eigenvalues --    2.91096   2.92209   2.93588   2.94775   2.96295
 Alpha virt. eigenvalues --    2.97788   3.03344   3.08742   3.09381   3.11027
 Alpha virt. eigenvalues --    3.15740   3.18920   3.23119   3.27121   3.30787
 Alpha virt. eigenvalues --    3.31326   3.40594   3.47570   3.69754   3.78626
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.074083  -0.657789   0.453844  -0.152446   0.555459  -0.138077
     2  C   -0.657789   8.233561  -0.551566   0.101742  -0.427772   0.464182
     3  C    0.453844  -0.551566  10.071367  -1.297188   0.437997  -0.195520
     4  C   -0.152446   0.101742  -1.297188   8.355976  -1.039844   0.448840
     5  C    0.555459  -0.427772   0.437997  -1.039844   8.041086  -0.273316
     6  C   -0.138077   0.464182  -0.195520   0.448840  -0.273316   6.862293
     7  C    0.038622  -0.437090  -0.014179  -0.323264   0.067302   0.038407
     8  N   -0.003270   0.018424   0.231873  -0.070551  -0.004827  -0.001719
     9  C    0.004276  -0.005850   0.067329  -0.085687  -0.005402   0.005111
    10  H   -0.000406  -0.027926  -0.054629  -0.036864  -0.003488   0.001167
    11  H    0.008355  -0.096992  -0.393158   0.137603   0.014380  -0.001096
    12  H   -0.004167   0.048953  -0.063264   0.018637  -0.002284  -0.001391
    13  H   -0.000118  -0.005319  -0.000663  -0.007055  -0.000095  -0.000114
    14  H   -0.000377  -0.001128  -0.105118   0.019133   0.000350   0.000301
    15  H    0.195016   0.008131  -1.029560   0.360633  -0.454465  -0.014048
    16  H   -0.088454   0.198966   0.133247  -0.357330  -0.209962  -0.560527
    17  H   -0.310773  -0.038206   0.116786  -0.025920  -0.344665   0.101504
    18  H   -0.023233  -0.361277   0.013808   0.149241  -0.050624  -0.477867
    19  H   -0.439296   0.004890  -1.097417   0.094489   0.220918  -0.061572
    20  H    0.001519   0.012270  -0.182697   0.034346   0.004685   0.000069
               7          8          9         10         11         12
     1  C    0.038622  -0.003270   0.004276  -0.000406   0.008355  -0.004167
     2  C   -0.437090   0.018424  -0.005850  -0.027926  -0.096992   0.048953
     3  C   -0.014179   0.231873   0.067329  -0.054629  -0.393158  -0.063264
     4  C   -0.323264  -0.070551  -0.085687  -0.036864   0.137603   0.018637
     5  C    0.067302  -0.004827  -0.005402  -0.003488   0.014380  -0.002284
     6  C    0.038407  -0.001719   0.005111   0.001167  -0.001096  -0.001391
     7  C    6.132576  -0.329744   0.444357   0.230373   0.143519  -0.020203
     8  N   -0.329744   8.096437  -0.050504  -0.235448  -0.153613   0.058931
     9  C    0.444357  -0.050504   4.326172   0.011388  -0.102212   0.262981
    10  H    0.230373  -0.235448   0.011388   1.025115   0.061858  -0.009322
    11  H    0.143519  -0.153613  -0.102212   0.061858   1.339038  -0.012654
    12  H   -0.020203   0.058931   0.262981  -0.009322  -0.012654   0.868534
    13  H    0.141554  -0.070415   0.285235   0.008237  -0.018282  -0.084462
    14  H    0.130019  -0.075805   0.236163   0.004931   0.024014  -0.062170
    15  H   -0.267395   0.013016  -0.003171  -0.030731   0.021403   0.007980
    16  H    0.000136  -0.000830   0.000839   0.000924  -0.000756  -0.000149
    17  H   -0.003086   0.000109  -0.000411  -0.000057   0.000215   0.000145
    18  H    0.009574  -0.000183   0.001515   0.000276  -0.005124  -0.001082
    19  H   -0.274902  -0.000771  -0.034944  -0.011758   0.076818   0.023400
    20  H    0.248537  -0.440167   0.006682   0.008903   0.020226  -0.007527
              13         14         15         16         17         18
     1  C   -0.000118  -0.000377   0.195016  -0.088454  -0.310773  -0.023233
     2  C   -0.005319  -0.001128   0.008131   0.198966  -0.038206  -0.361277
     3  C   -0.000663  -0.105118  -1.029560   0.133247   0.116786   0.013808
     4  C   -0.007055   0.019133   0.360633  -0.357330  -0.025920   0.149241
     5  C   -0.000095   0.000350  -0.454465  -0.209962  -0.344665  -0.050624
     6  C   -0.000114   0.000301  -0.014048  -0.560527   0.101504  -0.477867
     7  C    0.141554   0.130019  -0.267395   0.000136  -0.003086   0.009574
     8  N   -0.070415  -0.075805   0.013016  -0.000830   0.000109  -0.000183
     9  C    0.285235   0.236163  -0.003171   0.000839  -0.000411   0.001515
    10  H    0.008237   0.004931  -0.030731   0.000924  -0.000057   0.000276
    11  H   -0.018282   0.024014   0.021403  -0.000756   0.000215  -0.005124
    12  H   -0.084462  -0.062170   0.007980  -0.000149   0.000145  -0.001082
    13  H    0.663201  -0.021991  -0.000224  -0.000010   0.000000   0.000022
    14  H   -0.021991   0.852896   0.004111  -0.001137   0.000000   0.000075
    15  H   -0.000224   0.004111   2.435446  -0.499014   0.054939  -0.020276
    16  H   -0.000010  -0.001137  -0.499014   2.617085  -0.570175   0.068614
    17  H    0.000000   0.000000   0.054939  -0.570175   2.098234  -0.550765
    18  H    0.000022   0.000075  -0.020276   0.068614  -0.550765   2.578390
    19  H   -0.002234   0.000635   0.053879  -0.023417   0.063825  -0.635409
    20  H   -0.002754   0.041284   0.010104  -0.000934   0.000017  -0.000064
              19         20
     1  C   -0.439296   0.001519
     2  C    0.004890   0.012270
     3  C   -1.097417  -0.182697
     4  C    0.094489   0.034346
     5  C    0.220918   0.004685
     6  C   -0.061572   0.000069
     7  C   -0.274902   0.248537
     8  N   -0.000771  -0.440167
     9  C   -0.034944   0.006682
    10  H   -0.011758   0.008903
    11  H    0.076818   0.020226
    12  H    0.023400  -0.007527
    13  H   -0.002234  -0.002754
    14  H    0.000635   0.041284
    15  H    0.053879   0.010104
    16  H   -0.023417  -0.000934
    17  H    0.063825   0.000017
    18  H   -0.635409  -0.000064
    19  H    2.420176   0.004065
    20  H    0.004065   1.181443
 Mulliken charges:
               1
     1  C   -0.512769
     2  C   -0.480202
     3  C   -0.541292
     4  C   -0.324491
     5  C   -0.525434
     6  C   -0.196626
     7  C    0.044889
     8  N    0.019057
     9  C    0.636134
    10  H    0.057456
    11  H   -0.063540
    12  H   -0.020886
    13  H    0.115487
    14  H   -0.046187
    15  H    0.154228
    16  H    0.292884
    17  H    0.408285
    18  H    0.304391
    19  H    0.618625
    20  H    0.059993
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.208378
     2  C    0.138423
     3  C   -0.541292
     4  C   -0.170263
     5  C   -0.232550
     6  C    0.211659
     7  C   -0.018651
     8  N    0.136505
     9  C    0.684548
 Electronic spatial extent (au):  <R**2>=           1292.0688
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.0827    Y=              0.3433    Z=              0.1623  Tot=              1.1474
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.7081   YY=            -49.3508   ZZ=            -57.3473
   XY=             -0.8882   XZ=             -2.0102   YZ=              0.2633
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -2.9060   YY=              5.4513   ZZ=             -2.5452
   XY=             -0.8882   XZ=             -2.0102   YZ=              0.2633
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             35.7985  YYY=              3.2082  ZZZ=             -7.1450  XYY=             -1.3479
  XXY=              1.5597  XXZ=             10.8759  XZZ=             -6.8694  YZZ=              0.6450
  YYZ=             -1.7592  XYZ=              2.4759
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1250.5291 YYYY=           -315.8512 ZZZZ=           -202.8269 XXXY=             -1.4680
 XXXZ=            -36.5385 YYYX=             -7.8647 YYYZ=              3.4351 ZZZX=             10.2236
 ZZZY=             -5.6275 XXYY=           -236.5922 XXZZ=           -263.2402 YYZZ=            -96.8887
 XXYZ=              0.8150 YYXZ=              5.0570 ZZXY=             -1.9875
 N-N= 4.251332285289D+02 E-N=-1.696164771326D+03  KE= 3.612490004050D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:01:45 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.60881632D-01 1.47142918D-01 2.89654388D-02
 Polarizability= 1.25905636D+02-5.33705862D-01 1.01147794D+02
                 4.22351598D-01 2.65996868D+00 7.09134516D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.3832   -0.3819       -0.1042   -0.1160
 2      0.3832    0.3819       -1.3022   -1.3023      -13.3319  -13.3235
 3      0.1042    0.1160       28.4064   28.4017        1.3052    1.3023
 4      1.3022    1.3023       -0.0000    0.0000        0.1099    0.1160
 5    -15.0745  -15.0782       -0.1099   -0.1160       -0.3819   -0.3819
 6     -1.3052   -1.3023        0.3819    0.3819       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.1456    1.1456       -0.3481   -0.3481
 2      3.9068    3.9068       -0.0000    0.0000       -0.3481   -0.3481
 3      3.9068    3.9068        1.1456    1.1456       -0.0000    0.0000
 4      1.1456    1.1456       -3.9068   -3.9068      -39.9706  -39.9706
 5      0.3481    0.3481       85.2051   85.2051        3.9068    3.9068
 6    -45.2345  -45.2345       -0.3481   -0.3481       -1.1456   -1.1456
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0679    0.0000        2.0394    1.5275        0.3714    0.4642
 2     -1.3365   -1.5275        5.0935    5.2091       52.6647   53.2941
 3     -0.5963   -0.4642     -113.2834 -113.6068       -4.9600   -5.2091
 4     -4.8755   -5.2091        0.0704    0.0000       -0.1216   -0.4642
 5     60.4422   60.3127        0.5952    0.4642        1.1740    1.5275
 6      5.1589    5.2091       -1.6408   -1.5275        0.1221    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1326    0.0000       -2.8717   -3.0586       -3.2398   -3.2938
 2      3.5023    3.0586      -52.0159  -52.5767      -16.2857  -16.6110
 3      3.2499    3.2938      -14.5933  -14.4185       53.3683   52.5767
 4     52.6152   52.5767        0.0797    0.0000        3.1610    3.2938
 5     31.1159   31.0296       -3.4402   -3.2938       -3.7296   -3.0586
 6    -52.6281  -52.5767        2.8494    3.0586        0.1968    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     42.2315   42.1426       -2.2056   -2.6430        4.5212    4.7932
 2    117.9187  117.7576       -1.0830   -1.8157        4.4043    4.7932
 3    117.9152  117.7576       -1.9244   -2.6430        5.1374    5.4737
 4     -0.6061   -0.8273      -74.7636  -75.6150      -20.7125  -20.5583
 5      0.5499    0.6805      -21.9823  -22.1430       76.0777   75.6150
 6     42.3180   42.7013       -0.6178   -0.6805        0.1785    0.8273
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.4011   -3.6436   -0.0004    0.0004    0.0006    4.6940
 Low frequencies ---   24.7633  128.1845  212.2268
 Diagonal vibrational polarizability:
       15.5144911       8.8457676      21.4622711
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.7532               128.1837               212.2268
 Red. masses --      3.0053                 3.3459                 2.2565
 Frc consts  --      0.0011                 0.0324                 0.0599
 IR Inten    --      0.2393                 0.0500                 0.6238
 RamAct Fr= 1--      3.8470                 4.1543                 0.4639
  Dep-P Fr= 1--      0.7498                 0.7463                 0.2412
  Dep-U Fr= 1--      0.8570                 0.8547                 0.3887
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0056
 Beta2  Fr= 1--      0.5495                 0.5918                 0.0301
 AlphaG Fr= 1--      0.0002                 0.0006                -0.0009
 Gamma2 Fr= 1--     -0.4464                -0.1442                -0.0355
 Delta2 Fr= 1--     -0.5501                -0.1228                -0.0454
 Raman1 Fr= 1--      15.388                 16.617                  1.855
 ROA1   Fr= 1--     -60.460                -17.775                 -4.863
 CID1   Fr= 1--      -3.929                 -1.070                 -2.621
 Raman2 Fr= 1--       6.594                  7.102                  0.361
 ROA2   Fr= 1--      -6.313                 -2.479                 -0.489
 CID2   Fr= 1--      -0.957                 -0.349                 -1.355
 Raman3 Fr= 1--      13.187                 14.203                  0.721
 ROA3   Fr= 1--     -60.460                -17.775                 -4.863
 CID3   Fr= 1--      -4.585                 -1.251                 -6.742
 RC180  Fr= 1--       0.714                  0.709                 -0.223
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.16    -0.01  -0.01   0.04     0.04   0.03   0.00
     2   6     0.01   0.01  -0.10    -0.00   0.02  -0.15     0.05  -0.09  -0.01
     3   6    -0.00  -0.02   0.06    -0.00   0.02  -0.17    -0.01  -0.13  -0.02
     4   6    -0.01  -0.03   0.17    -0.00   0.01  -0.10    -0.10  -0.10  -0.02
     5   6    -0.01  -0.01   0.12    -0.01  -0.01   0.10    -0.13   0.01  -0.00
     6   6     0.00   0.01  -0.05    -0.01  -0.03   0.20    -0.05   0.06   0.01
     7   6    -0.00  -0.02   0.07    -0.00   0.00  -0.04    -0.01  -0.03  -0.01
     8   7     0.05  -0.16  -0.09    -0.17  -0.08   0.02     0.09   0.09   0.01
     9   6    -0.05   0.20   0.00     0.21   0.09   0.05     0.08   0.10   0.02
    10   1     0.06  -0.36  -0.07    -0.34  -0.17  -0.06     0.15   0.14   0.04
    11   1    -0.00  -0.05   0.22    -0.02  -0.02   0.06    -0.16  -0.01  -0.00
    12   1    -0.08   0.33   0.12     0.37   0.18   0.03    -0.17  -0.16  -0.04
    13   1    -0.05   0.19  -0.00     0.21   0.03   0.26    -0.01   0.54   0.01
    14   1    -0.07   0.25  -0.15     0.21   0.12  -0.06     0.51   0.02   0.11
    15   1    -0.02  -0.04   0.31    -0.00   0.01  -0.13    -0.16  -0.15  -0.03
    16   1    -0.02  -0.02   0.21    -0.01  -0.03   0.20    -0.20   0.04   0.00
    17   1     0.00   0.02  -0.09    -0.02  -0.05   0.39    -0.07   0.14   0.03
    18   1     0.02   0.04  -0.29    -0.01  -0.01   0.09     0.11   0.08   0.02
    19   1     0.01   0.02  -0.19    -0.00   0.02  -0.22     0.12  -0.12  -0.01
    20   1     0.12  -0.12  -0.27    -0.11  -0.05  -0.07     0.15   0.07   0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    249.2262               265.1189               315.4935
 Red. masses --      1.1827                 1.1420                 2.9878
 Frc consts  --      0.0433                 0.0473                 0.1752
 IR Inten    --     25.7132                12.8287                 1.9843
 RamAct Fr= 1--      0.2128                 0.2291                 1.5522
  Dep-P Fr= 1--      0.4130                 0.6353                 0.2259
  Dep-U Fr= 1--      0.5846                 0.7769                 0.3685
 Alpha2 Fr= 1--      0.0015                 0.0005                 0.0197
 Beta2  Fr= 1--      0.0207                 0.0297                 0.0953
 AlphaG Fr= 1--     -0.0004                 0.0026                -0.0055
 Gamma2 Fr= 1--     -0.1596                 0.0776                -0.7022
 Delta2 Fr= 1--      0.1633                 0.1965                -0.2029
 Raman1 Fr= 1--       0.851                  0.916                  6.209
 ROA1   Fr= 1--     -10.096                 13.737                -73.905
 CID1   Fr= 1--     -11.859                 14.992                -11.903
 Raman2 Fr= 1--       0.249                  0.356                  1.144
 ROA2   Fr= 1--      -5.137                  0.290                -15.231
 CID2   Fr= 1--     -20.646                  0.815                -13.313
 Raman3 Fr= 1--       0.498                  0.712                  2.288
 ROA3   Fr= 1--     -10.096                 13.737                -73.905
 CID3   Fr= 1--     -20.288                 19.296                -32.299
 RC180  Fr= 1--       0.169                  0.554                 -0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.02  -0.00  -0.01    -0.09  -0.03   0.03
     2   6     0.00  -0.02   0.02     0.02  -0.03  -0.01    -0.09   0.01   0.13
     3   6    -0.01  -0.03  -0.00     0.00  -0.04  -0.01    -0.03   0.05   0.02
     4   6    -0.03  -0.03   0.01    -0.02  -0.03  -0.01    -0.04   0.04   0.14
     5   6    -0.03   0.00  -0.01    -0.03  -0.01   0.00    -0.04   0.00   0.04
     6   6    -0.02   0.02  -0.02    -0.01   0.01   0.01    -0.08  -0.01  -0.13
     7   6    -0.01   0.01  -0.01     0.01  -0.02  -0.00     0.03   0.01  -0.09
     8   7     0.03   0.08   0.01     0.03   0.03   0.02     0.04  -0.03  -0.13
     9   6     0.02  -0.02   0.01    -0.01   0.05  -0.02     0.24  -0.03  -0.00
    10   1    -0.28  -0.38  -0.11     0.24   0.38   0.10     0.21   0.15  -0.05
    11   1    -0.06   0.03  -0.06    -0.02  -0.02   0.02     0.06   0.01  -0.08
    12   1     0.26   0.19   0.04     0.25   0.39   0.11     0.46  -0.03  -0.14
    13   1     0.08  -0.31   0.12     0.07  -0.33   0.10     0.24  -0.07   0.27
    14   1    -0.24   0.04  -0.12    -0.36   0.17  -0.28     0.30  -0.04   0.01
    15   1    -0.04  -0.04   0.03    -0.05  -0.05  -0.04    -0.04   0.03   0.22
    16   1    -0.05   0.01  -0.01    -0.05   0.00   0.00     0.01  -0.02   0.06
    17   1    -0.02   0.03  -0.03    -0.01   0.03   0.02    -0.07  -0.02  -0.30
    18   1     0.02   0.02   0.02     0.04   0.02  -0.01    -0.11  -0.04   0.04
    19   1     0.02  -0.03   0.03     0.04  -0.04  -0.02    -0.15   0.02   0.20
    20   1     0.60   0.15  -0.25    -0.31  -0.04   0.27    -0.23  -0.05  -0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    337.8994               412.9074               488.7767
 Red. masses --      3.4873                 2.9362                 3.0072
 Frc consts  --      0.2346                 0.2949                 0.4233
 IR Inten    --      3.2831                 0.2793                 3.0794
 RamAct Fr= 1--      1.6713                 0.0327                 4.1059
  Dep-P Fr= 1--      0.2719                 0.3071                 0.0669
  Dep-U Fr= 1--      0.4276                 0.4699                 0.1254
 Alpha2 Fr= 1--      0.0186                 0.0003                 0.0779
 Beta2  Fr= 1--      0.1191                 0.0026                 0.0858
 AlphaG Fr= 1--      0.0066                -0.0047                -0.0133
 Gamma2 Fr= 1--      0.8666                -0.2308                -0.1092
 Delta2 Fr= 1--      0.1882                -0.0307                -0.1366
 Raman1 Fr= 1--       6.685                  0.131                 16.424
 ROA1   Fr= 1--      89.216                -23.141                -14.856
 CID1   Fr= 1--      13.345               -176.695                 -0.905
 Raman2 Fr= 1--       1.429                  0.031                  1.030
 ROA2   Fr= 1--      19.293                 -5.294                 -1.529
 CID2   Fr= 1--      13.499               -172.038                 -1.485
 Raman3 Fr= 1--       2.858                  0.062                  2.060
 ROA3   Fr= 1--      89.216                -23.141                -14.856
 CID3   Fr= 1--      31.211               -376.017                 -7.213
 RC180  Fr= 1--      -0.145                 -0.060                 -0.749
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01  -0.05     0.01   0.02  -0.20    -0.08  -0.05   0.00
     2   6    -0.10   0.04  -0.12    -0.01  -0.02   0.21    -0.05   0.01   0.00
     3   6    -0.03   0.06   0.03    -0.00   0.00  -0.00     0.05   0.06  -0.02
     4   6    -0.04   0.09  -0.13     0.01   0.02  -0.21    -0.03   0.10   0.01
     5   6    -0.04   0.02  -0.05    -0.00  -0.03   0.21    -0.04   0.03   0.02
     6   6    -0.10  -0.04   0.12     0.00   0.00  -0.00    -0.11  -0.03  -0.03
     7   6     0.04  -0.00   0.12    -0.00   0.00  -0.00     0.17  -0.12  -0.02
     8   7     0.26  -0.04  -0.05     0.00   0.00  -0.00     0.05  -0.03   0.21
     9   6     0.02  -0.07   0.12    -0.00  -0.00   0.00     0.04   0.03  -0.18
    10   1     0.55  -0.06   0.10    -0.02  -0.03  -0.01    -0.26  -0.02   0.05
    11   1     0.07  -0.01   0.14    -0.01   0.00  -0.00     0.24  -0.12  -0.06
    12   1     0.08  -0.10   0.07    -0.00  -0.01  -0.00    -0.21   0.16   0.07
    13   1     0.03  -0.17   0.13    -0.00  -0.00   0.00     0.02   0.18  -0.41
    14   1    -0.06  -0.09   0.20     0.01  -0.01   0.01     0.09   0.09  -0.40
    15   1    -0.03   0.10  -0.22     0.02   0.05  -0.45    -0.05   0.08   0.03
    16   1     0.02   0.00  -0.08    -0.01  -0.05   0.44     0.05  -0.01   0.04
    17   1    -0.10  -0.10   0.29     0.00   0.00  -0.02    -0.11  -0.05  -0.05
    18   1    -0.12  -0.02  -0.08     0.01   0.05  -0.46    -0.07  -0.04   0.03
    19   1    -0.16   0.08  -0.20    -0.01  -0.05   0.45    -0.16   0.05   0.03
    20   1     0.22  -0.03  -0.08     0.01   0.01  -0.02     0.27  -0.06   0.30
                     10                     11                     12
                      A                      A                      A
 Frequencies --    551.0679               598.3501               638.6372
 Red. masses --      2.8614                 3.0079                 6.3589
 Frc consts  --      0.5120                 0.6345                 1.5281
 IR Inten    --     20.9867                 8.0942                 0.0177
 RamAct Fr= 1--      0.1900                 1.4500                 4.2661
  Dep-P Fr= 1--      0.4781                 0.7301                 0.7333
  Dep-U Fr= 1--      0.6469                 0.8440                 0.8462
 Alpha2 Fr= 1--      0.0010                 0.0005                 0.0012
 Beta2  Fr= 1--      0.0205                 0.2040                 0.6016
 AlphaG Fr= 1--      0.0001                -0.0007                -0.0016
 Gamma2 Fr= 1--      0.0252                 0.1758                -0.0488
 Delta2 Fr= 1--     -0.0064                 0.0818                -0.0085
 Raman1 Fr= 1--       0.760                  5.800                 17.064
 ROA1   Fr= 1--       2.213                 19.490                 -4.958
 CID1   Fr= 1--       2.912                  3.360                 -0.291
 Raman2 Fr= 1--       0.246                  2.448                  7.220
 ROA2   Fr= 1--       0.655                  3.564                 -1.103
 CID2   Fr= 1--       2.665                  1.456                 -0.153
 Raman3 Fr= 1--       0.492                  4.895                 14.439
 ROA3   Fr= 1--       2.213                 19.490                 -4.958
 CID3   Fr= 1--       4.501                  3.981                 -0.343
 RC180  Fr= 1--       0.294                  0.688                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.13     0.01  -0.09  -0.02     0.29  -0.21  -0.02
     2   6    -0.00   0.01   0.06     0.04  -0.17  -0.01     0.21   0.22   0.03
     3   6    -0.01  -0.03   0.26     0.16  -0.03   0.03    -0.00   0.13   0.02
     4   6    -0.00  -0.00   0.06    -0.01   0.01   0.01    -0.27   0.17   0.01
     5   6     0.01   0.01  -0.13    -0.06   0.08  -0.01    -0.22  -0.26  -0.04
     6   6     0.00  -0.02   0.19    -0.16   0.00   0.02     0.00  -0.14  -0.02
     7   6    -0.01  -0.03  -0.06     0.16   0.23   0.04     0.01   0.04   0.01
     8   7    -0.06   0.02  -0.01    -0.04  -0.01  -0.02    -0.01   0.02  -0.02
     9   6     0.07   0.00  -0.08    -0.00   0.01   0.01    -0.01   0.01   0.03
    10   1    -0.19   0.02  -0.08    -0.22  -0.09  -0.10    -0.02   0.00  -0.02
    11   1     0.03  -0.01  -0.14     0.14   0.21   0.10     0.04   0.03   0.01
    12   1     0.15   0.05  -0.09    -0.08  -0.15  -0.07    -0.00  -0.02   0.00
    13   1     0.05   0.06   0.08     0.05  -0.17  -0.28    -0.00  -0.01   0.01
    14   1     0.18   0.02  -0.18    -0.25  -0.06   0.32    -0.03  -0.00   0.08
    15   1     0.02   0.04  -0.26    -0.18  -0.12  -0.05    -0.15   0.26   0.03
    16   1     0.02   0.05  -0.49     0.01   0.06  -0.05    -0.06  -0.33  -0.03
    17   1     0.00  -0.03   0.20    -0.16   0.02   0.00    -0.06   0.29   0.04
    18   1     0.00   0.05  -0.49     0.17   0.04  -0.06     0.18  -0.30  -0.02
    19   1     0.01   0.04  -0.24    -0.04  -0.13  -0.04     0.05   0.28   0.04
    20   1    -0.05   0.01   0.01    -0.41   0.04  -0.24    -0.04   0.03  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.2166               764.0481               778.7930
 Red. masses --      1.6891                 3.4832                 1.9567
 Frc consts  --      0.5048                 1.1980                 0.6992
 IR Inten    --     50.6057                25.9129                20.2511
 RamAct Fr= 1--      0.0351                11.0122                 0.8046
  Dep-P Fr= 1--      0.3189                 0.0116                 0.3052
  Dep-U Fr= 1--      0.4835                 0.0229                 0.4677
 Alpha2 Fr= 1--      0.0003                 0.2382                 0.0081
 Beta2  Fr= 1--      0.0028                 0.0420                 0.0627
 AlphaG Fr= 1--     -0.0013                -0.0363                -0.0049
 Gamma2 Fr= 1--      0.0049                 0.4878                 0.0950
 Delta2 Fr= 1--      0.0203                 0.0617                 0.0287
 Raman1 Fr= 1--       0.140                 44.049                  3.218
 ROA1   Fr= 1--       1.119                 48.807                 10.041
 CID1   Fr= 1--       7.967                  1.108                  3.120
 Raman2 Fr= 1--       0.034                  0.504                  0.753
 ROA2   Fr= 1--      -0.045                 11.214                  2.051
 CID2   Fr= 1--      -1.316                 22.237                  2.725
 Raman3 Fr= 1--       0.068                  1.009                  1.505
 ROA3   Fr= 1--       1.119                 48.807                 10.041
 CID3   Fr= 1--      16.476                 48.392                  6.670
 RC180  Fr= 1--      -0.033                 -0.954                 -0.065
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.14     0.08  -0.15  -0.01    -0.01   0.01   0.01
     2   6    -0.00  -0.01   0.07     0.08  -0.12  -0.03    -0.00   0.02  -0.08
     3   6     0.00   0.01  -0.09     0.10   0.01   0.05    -0.01  -0.03   0.22
     4   6    -0.00  -0.01   0.06     0.04   0.18  -0.01    -0.00  -0.01  -0.09
     5   6     0.00   0.02  -0.14     0.07   0.18   0.03    -0.01  -0.02   0.01
     6   6    -0.00  -0.01   0.07    -0.16  -0.02  -0.03     0.02   0.02  -0.13
     7   6     0.00  -0.00   0.00    -0.12  -0.15  -0.03     0.00   0.02   0.00
     8   7    -0.00  -0.00  -0.00    -0.08   0.04  -0.08     0.01   0.00   0.01
     9   6     0.00   0.00   0.00    -0.07  -0.02   0.08     0.02  -0.01  -0.05
    10   1     0.05   0.03   0.02     0.21   0.15   0.05    -0.14  -0.04  -0.06
    11   1    -0.01  -0.00   0.02    -0.08  -0.12  -0.14     0.03   0.03  -0.04
    12   1    -0.02  -0.01   0.00     0.04   0.12   0.13     0.09  -0.01  -0.09
    13   1     0.00  -0.01  -0.03    -0.12   0.16   0.41     0.02   0.00   0.03
    14   1    -0.03  -0.00   0.02     0.18   0.03  -0.18     0.07  -0.01  -0.05
    15   1    -0.02  -0.06   0.51    -0.03   0.12   0.03    -0.00  -0.02   0.00
    16   1    -0.01  -0.03   0.22     0.30   0.08   0.12    -0.05  -0.06   0.50
    17   1    -0.02  -0.07   0.56    -0.15  -0.06   0.09    -0.00  -0.06   0.56
    18   1    -0.01  -0.03   0.21     0.25  -0.02   0.11    -0.03  -0.06   0.52
    19   1    -0.02  -0.06   0.50    -0.04  -0.08  -0.00     0.00   0.00   0.01
    20   1     0.04  -0.00   0.02     0.33   0.01   0.10    -0.15   0.01  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    852.3730               871.8380               916.5275
 Red. masses --      1.2717                 1.6578                 1.7408
 Frc consts  --      0.5444                 0.7424                 0.8616
 IR Inten    --     11.7229               181.8486                 1.1431
 RamAct Fr= 1--      1.0212                 3.3051                 3.3283
  Dep-P Fr= 1--      0.6116                 0.1572                 0.5499
  Dep-U Fr= 1--      0.7590                 0.2718                 0.7096
 Alpha2 Fr= 1--      0.0026                 0.0502                 0.0127
 Beta2  Fr= 1--      0.1292                 0.1497                 0.3936
 AlphaG Fr= 1--      0.0007                 0.0500                 0.0037
 Gamma2 Fr= 1--     -0.0578                -0.6242                 0.7940
 Delta2 Fr= 1--      0.0821                -0.0549                -0.3497
 Raman1 Fr= 1--       4.085                 13.220                 13.313
 ROA1   Fr= 1--      -2.922                -61.678                 65.031
 CID1   Fr= 1--      -0.715                 -4.665                  4.885
 Raman2 Fr= 1--       1.550                  1.796                  4.723
 ROA2   Fr= 1--      -2.044                -14.541                 21.852
 CID2   Fr= 1--      -1.318                 -8.094                  4.627
 Raman3 Fr= 1--       3.100                  3.593                  9.446
 ROA3   Fr= 1--      -2.922                -61.678                 65.031
 CID3   Fr= 1--      -0.943                -17.167                  6.884
 RC180  Fr= 1--       0.518                 -0.456                  0.419
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.07     0.02  -0.02   0.02    -0.03   0.03  -0.00
     2   6    -0.00  -0.01   0.07     0.00  -0.01   0.02    -0.01   0.01   0.08
     3   6    -0.00  -0.00   0.02    -0.00   0.00  -0.04     0.02   0.01  -0.05
     4   6     0.00   0.00  -0.09     0.00   0.03  -0.00    -0.01  -0.03   0.07
     5   6    -0.00   0.00  -0.06     0.02   0.04  -0.03    -0.01  -0.03  -0.02
     6   6     0.00   0.00   0.00    -0.01  -0.01   0.01     0.01   0.01  -0.07
     7   6     0.01   0.01   0.01    -0.07  -0.01  -0.07     0.10  -0.06  -0.04
     8   7    -0.04  -0.00  -0.01     0.17  -0.01   0.07    -0.01   0.04  -0.06
     9   6     0.01   0.00  -0.01    -0.06   0.00   0.02    -0.02  -0.02   0.14
    10   1     0.12   0.04   0.06    -0.55  -0.16  -0.25    -0.16   0.07  -0.14
    11   1     0.02  -0.00   0.04    -0.09  -0.01  -0.09     0.14  -0.03  -0.15
    12   1    -0.01  -0.01  -0.00     0.11   0.01  -0.07    -0.23   0.14   0.39
    13   1     0.02  -0.01  -0.06    -0.09   0.06   0.30    -0.04   0.10  -0.03
    14   1    -0.03   0.00   0.01     0.10  -0.01  -0.01    -0.02   0.05  -0.10
    15   1    -0.01  -0.06   0.52    -0.02  -0.00   0.14     0.00   0.02  -0.39
    16   1    -0.03  -0.06   0.44     0.06  -0.00   0.16    -0.04  -0.03   0.07
    17   1     0.00   0.01  -0.01    -0.01  -0.01  -0.05    -0.00  -0.07   0.46
    18   1     0.01   0.06  -0.46     0.04   0.01  -0.16    -0.07   0.01  -0.01
    19   1     0.02   0.06  -0.49    -0.00   0.01  -0.10     0.01   0.07  -0.43
    20   1     0.13  -0.00   0.02    -0.56  -0.01  -0.06    -0.08   0.03  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    927.3685               957.6200               973.8325
 Red. masses --      1.6496                 1.3590                 1.2313
 Frc consts  --      0.8359                 0.7343                 0.6880
 IR Inten    --      1.5719                 0.4671                 0.1439
 RamAct Fr= 1--      2.2760                 0.0437                 0.0226
  Dep-P Fr= 1--      0.6737                 0.7443                 0.6499
  Dep-U Fr= 1--      0.8051                 0.8534                 0.7878
 Alpha2 Fr= 1--      0.0031                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3054                 0.0062                 0.0030
 AlphaG Fr= 1--     -0.0035                 0.0006                -0.0013
 Gamma2 Fr= 1--     -1.6505                 0.2543                 0.1262
 Delta2 Fr= 1--      0.2323                -0.0362                -0.0860
 Raman1 Fr= 1--       9.104                  0.175                  0.091
 ROA1   Fr= 1--    -151.015                 23.259                  9.365
 CID1   Fr= 1--     -16.588                132.945                103.408
 Raman2 Fr= 1--       3.665                  0.075                  0.036
 ROA2   Fr= 1--     -41.471                  6.394                  3.717
 CID2   Fr= 1--     -11.316                 85.647                104.192
 Raman3 Fr= 1--       7.329                  0.149                  0.071
 ROA3   Fr= 1--    -151.015                 23.259                  9.365
 CID3   Fr= 1--     -20.604                155.786                131.257
 RC180  Fr= 1--       0.610                  0.707                  0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.01     0.00  -0.01   0.08     0.00   0.01  -0.08
     2   6     0.00  -0.03   0.08     0.00   0.01  -0.08    -0.00  -0.00   0.04
     3   6    -0.03   0.00  -0.07    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.01   0.08    -0.00  -0.01   0.09    -0.00  -0.00   0.03
     5   6     0.02   0.03   0.00     0.00   0.01  -0.10     0.00   0.01  -0.07
     6   6    -0.01   0.01  -0.07    -0.00  -0.00   0.00    -0.00  -0.01   0.08
     7   6    -0.09   0.04   0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
     8   7     0.02  -0.05   0.07    -0.01   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01   0.04  -0.09     0.01  -0.00  -0.01     0.00   0.00  -0.00
    10   1     0.18  -0.06   0.15     0.05  -0.01   0.03     0.02  -0.00   0.01
    11   1    -0.18   0.00   0.20    -0.01   0.01  -0.00    -0.01  -0.00   0.01
    12   1     0.17  -0.15  -0.35    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   1     0.04  -0.13  -0.02     0.01  -0.01  -0.02     0.00  -0.01  -0.01
    14   1    -0.05  -0.04   0.19     0.01  -0.00  -0.02    -0.01  -0.00   0.01
    15   1     0.03   0.08  -0.38     0.02   0.05  -0.49     0.01   0.03  -0.24
    16   1     0.05   0.02  -0.03    -0.02  -0.06   0.56    -0.02  -0.05   0.47
    17   1    -0.02  -0.04   0.45    -0.00   0.01  -0.03     0.02   0.06  -0.53
    18   1     0.06  -0.01  -0.01     0.02   0.05  -0.46    -0.02  -0.07   0.55
    19   1     0.02   0.03  -0.43    -0.02  -0.05   0.43     0.01   0.04  -0.33
    20   1     0.15  -0.05   0.08     0.03   0.01  -0.01     0.03  -0.00   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1010.5476              1023.9451              1041.0364
 Red. masses --      1.4134                 4.7221                 1.9037
 Frc consts  --      0.8504                 2.9170                 1.2156
 IR Inten    --      2.6104                 1.7153                30.6733
 RamAct Fr= 1--      3.3050                54.3495                 6.1477
  Dep-P Fr= 1--      0.6551                 0.0445                 0.1208
  Dep-U Fr= 1--      0.7916                 0.0853                 0.2155
 Alpha2 Fr= 1--      0.0056                 1.0876                 0.1023
 Beta2  Fr= 1--      0.4361                 0.7727                 0.2208
 AlphaG Fr= 1--     -0.0144                 0.0039                -0.0450
 Gamma2 Fr= 1--      0.8480                 0.5145                 0.9425
 Delta2 Fr= 1--     -0.1400                 0.1468                 1.0607
 Raman1 Fr= 1--      13.220                217.398                 24.591
 ROA1   Fr= 1--      76.926                 54.091                124.419
 CID1   Fr= 1--       5.819                  0.249                  5.060
 Raman2 Fr= 1--       5.233                  9.272                  2.650
 ROA2   Fr= 1--      21.471                 11.175                 14.134
 CID2   Fr= 1--       4.103                  1.205                  5.333
 Raman3 Fr= 1--      10.465                 18.544                  5.300
 ROA3   Fr= 1--      76.926                 54.091                124.419
 CID3   Fr= 1--       7.350                  2.917                 23.475
 RC180  Fr= 1--       0.583                 -0.829                 -0.569
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00    -0.01   0.03   0.00    -0.04   0.07   0.01
     2   6     0.01   0.03  -0.01    -0.12  -0.29  -0.04    -0.02  -0.10  -0.01
     3   6     0.02  -0.01   0.03    -0.02  -0.03   0.02     0.07   0.05  -0.01
     4   6     0.01  -0.01  -0.01    -0.20   0.29   0.02    -0.00   0.02   0.01
     5   6    -0.00  -0.02  -0.00    -0.00  -0.01  -0.00    -0.04  -0.13  -0.02
     6   6    -0.03  -0.01   0.00     0.31   0.03   0.01     0.02   0.03   0.00
     7   6     0.06  -0.06  -0.09     0.01  -0.06   0.00     0.05   0.09  -0.05
     8   7     0.00  -0.02  -0.03     0.01   0.03  -0.03    -0.02  -0.06   0.05
     9   6    -0.05   0.10   0.05     0.05   0.03   0.02    -0.12  -0.01  -0.01
    10   1    -0.29   0.29  -0.21    -0.17   0.06  -0.12     0.19   0.01   0.13
    11   1     0.03  -0.14   0.24    -0.20  -0.07   0.17     0.33   0.10  -0.25
    12   1     0.10  -0.18  -0.25    -0.11  -0.07   0.04     0.24   0.08  -0.14
    13   1     0.01  -0.17   0.10     0.09  -0.11  -0.28    -0.18   0.15   0.56
    14   1    -0.17  -0.02   0.49    -0.17   0.01   0.15     0.26  -0.03  -0.09
    15   1     0.02  -0.01  -0.00    -0.15   0.34   0.03     0.10   0.10  -0.01
    16   1     0.01  -0.03   0.02     0.06  -0.02   0.01    -0.05  -0.13  -0.02
    17   1    -0.02  -0.04  -0.03     0.33  -0.02  -0.00     0.00   0.14   0.02
    18   1    -0.04   0.02  -0.01    -0.01   0.02   0.00     0.08   0.17   0.02
    19   1     0.03   0.02   0.08    -0.06  -0.33  -0.01     0.00  -0.11  -0.02
    20   1     0.28  -0.12   0.37    -0.05   0.00   0.04     0.21  -0.05   0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1056.8309              1106.9925              1139.3551
 Red. masses --      1.9794                 1.5828                 2.4610
 Frc consts  --      1.3025                 1.1428                 1.8822
 IR Inten    --      0.3809                 8.7004                 7.4261
 RamAct Fr= 1--     14.0402                 1.3837                 4.9568
  Dep-P Fr= 1--      0.0425                 0.1513                 0.6275
  Dep-U Fr= 1--      0.0816                 0.2628                 0.7711
 Alpha2 Fr= 1--      0.2823                 0.0213                 0.0111
 Beta2  Fr= 1--      0.1910                 0.0606                 0.6370
 AlphaG Fr= 1--      0.0166                 0.0117                 0.0422
 Gamma2 Fr= 1--     -0.8975                 0.2910                -2.4048
 Delta2 Fr= 1--     -0.5030                 0.0798                -0.4561
 Raman1 Fr= 1--      56.161                  5.535                 19.827
 ROA1   Fr= 1--    -102.253                 30.488               -245.456
 CID1   Fr= 1--      -1.821                  5.508                -12.380
 Raman2 Fr= 1--       2.292                  0.727                  7.645
 ROA2   Fr= 1--     -17.515                  6.346                -54.067
 CID2   Fr= 1--      -7.642                  8.724                 -7.073
 Raman3 Fr= 1--       4.584                  1.455                 15.289
 ROA3   Fr= 1--    -102.253                 30.488               -245.456
 CID3   Fr= 1--     -22.307                 20.957                -16.054
 RC180  Fr= 1--      -0.837                 -0.474                  0.542
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.16   0.02     0.08  -0.05  -0.00    -0.01   0.00   0.00
     2   6     0.07  -0.03   0.00    -0.10  -0.05  -0.01    -0.02  -0.00   0.01
     3   6    -0.01  -0.02  -0.00    -0.06   0.04   0.01     0.07   0.02  -0.05
     4   6     0.03   0.07   0.01     0.11  -0.02  -0.00     0.03  -0.01   0.01
     5   6     0.02  -0.14  -0.02    -0.03  -0.05  -0.01    -0.03  -0.02  -0.00
     6   6    -0.14  -0.03  -0.01    -0.03   0.08   0.01     0.01   0.01  -0.00
     7   6    -0.04  -0.03   0.04    -0.02  -0.01  -0.02     0.05  -0.10   0.26
     8   7     0.01   0.03  -0.01     0.02  -0.00  -0.01    -0.02   0.10  -0.10
     9   6     0.05  -0.00  -0.01     0.03   0.00   0.02    -0.05  -0.03  -0.12
    10   1    -0.05  -0.05  -0.03    -0.09   0.04  -0.07    -0.28   0.09  -0.22
    11   1    -0.19  -0.03   0.10    -0.01  -0.03   0.04     0.07  -0.16   0.51
    12   1    -0.08  -0.02   0.04    -0.09  -0.01   0.08     0.27  -0.01  -0.28
    13   1     0.06  -0.05  -0.20     0.05  -0.03  -0.16    -0.07   0.00   0.29
    14   1    -0.07   0.01  -0.02    -0.08   0.02   0.01     0.28  -0.07  -0.14
    15   1     0.27   0.26   0.04     0.45   0.24   0.05     0.03  -0.01  -0.04
    16   1     0.39  -0.30  -0.02    -0.19   0.01  -0.00    -0.14   0.02  -0.01
    17   1    -0.15  -0.08  -0.02    -0.10   0.53   0.06     0.00   0.09   0.02
    18   1     0.21   0.36   0.05     0.31   0.11   0.03    -0.04  -0.02  -0.01
    19   1     0.40  -0.15  -0.01    -0.41   0.06   0.01    -0.17   0.07  -0.06
    20   1    -0.15   0.04  -0.08     0.01  -0.03   0.08    -0.14   0.09  -0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.4601              1205.1907              1213.7678
 Red. masses --      1.1162                 1.1708                 2.1272
 Frc consts  --      0.9226                 1.0020                 1.8464
 IR Inten    --      0.1795                 0.0201                 3.6702
 RamAct Fr= 1--      4.5493                 7.6745                13.2495
  Dep-P Fr= 1--      0.7415                 0.3331                 0.1046
  Dep-U Fr= 1--      0.8516                 0.4998                 0.1895
 Alpha2 Fr= 1--      0.0007                 0.0711                 0.2294
 Beta2  Fr= 1--      0.6457                 0.6393                 0.4184
 AlphaG Fr= 1--      0.0007                 0.0342                 0.0376
 Gamma2 Fr= 1--     -0.0400                -0.0751                 0.0812
 Delta2 Fr= 1--      0.0240                 0.0660                 0.1593
 Raman1 Fr= 1--      18.197                 30.698                 52.998
 ROA1   Fr= 1--      -3.070                 -5.100                 12.896
 CID1   Fr= 1--      -0.169                 -0.166                  0.243
 Raman2 Fr= 1--       7.748                  7.671                  5.020
 ROA2   Fr= 1--      -1.152                 -2.331                  0.675
 CID2   Fr= 1--      -0.149                 -0.304                  0.134
 Raman3 Fr= 1--      15.496                 15.342                 10.040
 ROA3   Fr= 1--      -3.070                 -5.100                 12.896
 CID3   Fr= 1--      -0.198                 -0.332                  1.284
 RC180  Fr= 1--       0.703                 -0.000                 -0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.00    -0.02  -0.04  -0.01    -0.07   0.03   0.00
     2   6     0.01  -0.01  -0.00     0.05  -0.03  -0.00     0.03   0.02   0.00
     3   6     0.01   0.00   0.00    -0.06  -0.00  -0.00     0.24  -0.01   0.01
     4   6    -0.00  -0.01  -0.00     0.03   0.03   0.00     0.07   0.04   0.01
     5   6     0.04  -0.02  -0.00    -0.03   0.04   0.00    -0.09  -0.05  -0.01
     6   6    -0.01   0.07   0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
     7   6    -0.01  -0.00   0.00     0.02   0.02   0.01    -0.08  -0.08  -0.04
     8   7     0.00   0.00  -0.00     0.00  -0.00  -0.01    -0.01   0.01   0.03
     9   6     0.00   0.00  -0.00    -0.01  -0.01  -0.00     0.02   0.04   0.00
    10   1    -0.00  -0.00  -0.00    -0.05   0.04  -0.03     0.19  -0.18   0.15
    11   1    -0.01  -0.01   0.01     0.10   0.01   0.03    -0.45   0.00  -0.16
    12   1    -0.01  -0.00   0.00     0.02   0.02   0.01    -0.07  -0.07  -0.03
    13   1     0.00  -0.00  -0.01    -0.01   0.02   0.01     0.04  -0.08  -0.05
    14   1    -0.01   0.00   0.00     0.04  -0.00  -0.04    -0.14   0.01   0.13
    15   1    -0.13  -0.10  -0.02     0.41   0.32   0.05     0.12   0.07   0.02
    16   1     0.43  -0.17  -0.01    -0.39   0.18   0.01    -0.45   0.08  -0.01
    17   1    -0.10   0.66   0.07    -0.01  -0.03  -0.00    -0.00   0.07   0.01
    18   1    -0.40  -0.31  -0.05    -0.31  -0.27  -0.04    -0.36  -0.18  -0.03
    19   1     0.16  -0.07  -0.00     0.54  -0.22  -0.01    -0.21   0.12   0.01
    20   1    -0.00   0.00   0.00     0.02  -0.02   0.04    -0.15   0.07  -0.19
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1267.1470              1309.0859              1354.1959
 Red. masses --      1.7513                 2.2104                 2.3234
 Frc consts  --      1.6568                 2.2319                 2.5104
 IR Inten    --     10.6710                 8.1742                 1.4248
 RamAct Fr= 1--      9.3686                 1.1377                 1.4579
  Dep-P Fr= 1--      0.0811                 0.6581                 0.6697
  Dep-U Fr= 1--      0.1500                 0.7938                 0.8022
 Alpha2 Fr= 1--      0.1718                 0.0019                 0.0021
 Beta2  Fr= 1--      0.2342                 0.1505                 0.1949
 AlphaG Fr= 1--     -0.0805                 0.0084                -0.0002
 Gamma2 Fr= 1--     -0.9095                 1.0709                 0.5175
 Delta2 Fr= 1--      0.1613                -0.2315                -0.6044
 Raman1 Fr= 1--      37.475                  4.551                  5.831
 ROA1   Fr= 1--     -82.155                 95.402                 30.337
 CID1   Fr= 1--      -2.192                 20.963                  5.202
 Raman2 Fr= 1--       2.810                  1.806                  2.339
 ROA2   Fr= 1--     -23.119                 27.554                 17.255
 CID2   Fr= 1--      -8.227                 15.255                  7.377
 Raman3 Fr= 1--       5.620                  3.612                  4.678
 ROA3   Fr= 1--     -82.155                 95.402                 30.337
 CID3   Fr= 1--     -14.618                 26.409                  6.485
 RC180  Fr= 1--      -0.700                  0.588                  0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.00    -0.08  -0.07  -0.01    -0.09  -0.06  -0.01
     2   6     0.04  -0.02  -0.00     0.06  -0.06  -0.00     0.17  -0.04  -0.00
     3   6     0.09   0.05   0.01     0.01   0.21   0.01    -0.03   0.04   0.01
     4   6    -0.00  -0.01   0.00    -0.03  -0.06  -0.01    -0.15  -0.09  -0.01
     5   6    -0.01  -0.03  -0.00     0.07  -0.06  -0.00     0.11  -0.03   0.00
     6   6     0.01   0.01   0.00    -0.00   0.07   0.01    -0.02   0.17   0.02
     7   6    -0.13   0.13  -0.02    -0.12  -0.08   0.03     0.06   0.00  -0.02
     8   7     0.04  -0.05  -0.03     0.02   0.04  -0.00    -0.00  -0.00   0.01
     9   6     0.05  -0.10   0.01     0.05   0.06  -0.00    -0.02  -0.01   0.01
    10   1    -0.24   0.22  -0.19    -0.00  -0.10   0.01     0.03  -0.01   0.02
    11   1    -0.09  -0.01   0.50     0.59  -0.12  -0.22    -0.35   0.03   0.10
    12   1    -0.09   0.10   0.24    -0.09  -0.13  -0.08     0.04   0.03   0.00
    13   1    -0.01   0.20  -0.13     0.08  -0.12  -0.12    -0.02  -0.02   0.01
    14   1    -0.00   0.01  -0.32    -0.15   0.03   0.14     0.09  -0.01  -0.03
    15   1    -0.14  -0.12  -0.03    -0.24  -0.22  -0.03     0.41   0.35   0.06
    16   1    -0.12   0.01  -0.01    -0.31   0.09  -0.00     0.13  -0.03   0.00
    17   1     0.01  -0.06  -0.01     0.01  -0.05  -0.01     0.05  -0.34  -0.04
    18   1    -0.05  -0.00  -0.00     0.20   0.14   0.02    -0.09  -0.06  -0.01
    19   1    -0.01   0.01   0.00     0.24  -0.14  -0.02    -0.49   0.22   0.02
    20   1     0.25  -0.16   0.39    -0.09   0.03  -0.03    -0.03   0.02  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1379.4214              1400.4956              1410.4182
 Red. masses --      1.4056                 1.2045                 1.2753
 Frc consts  --      1.5758                 1.3920                 1.4948
 IR Inten    --      3.0787                 3.2215                 7.9655
 RamAct Fr= 1--      3.8177                 3.2237                 1.9281
  Dep-P Fr= 1--      0.4422                 0.6345                 0.7243
  Dep-U Fr= 1--      0.6132                 0.7764                 0.8401
 Alpha2 Fr= 1--      0.0241                 0.0068                 0.0009
 Beta2  Fr= 1--      0.3902                 0.4171                 0.2700
 AlphaG Fr= 1--      0.0173                 0.0024                 0.0015
 Gamma2 Fr= 1--     -1.3213                 1.6342                 0.2476
 Delta2 Fr= 1--     -0.5153                 0.5863                 0.2167
 Raman1 Fr= 1--      15.271                 12.895                  7.712
 ROA1   Fr= 1--    -143.337                175.649                 30.701
 CID1   Fr= 1--      -9.386                 13.622                  3.981
 Raman2 Fr= 1--       4.682                  5.006                  3.240
 ROA2   Fr= 1--     -27.589                 34.532                  4.208
 CID2   Fr= 1--      -5.892                  6.899                  1.299
 Raman3 Fr= 1--       9.365                 10.011                  6.479
 ROA3   Fr= 1--    -143.337                175.649                 30.701
 CID3   Fr= 1--     -15.306                 17.545                  4.739
 RC180  Fr= 1--       0.226                  0.553                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.01     0.03   0.02   0.00    -0.01  -0.01  -0.00
     2   6    -0.02   0.01  -0.00     0.00  -0.01  -0.00     0.00   0.01   0.00
     3   6    -0.03   0.07   0.02     0.00  -0.03   0.00    -0.01   0.01  -0.01
     4   6     0.01   0.01   0.00    -0.00  -0.01  -0.00    -0.01  -0.00   0.00
     5   6     0.05  -0.02  -0.00    -0.04   0.02   0.00     0.02  -0.00   0.00
     6   6     0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00   0.00  -0.00
     7   6     0.09  -0.02  -0.10    -0.04  -0.00  -0.07     0.01   0.01   0.07
     8   7    -0.02   0.02   0.03    -0.01   0.04   0.02     0.01  -0.03  -0.02
     9   6    -0.03  -0.03  -0.01     0.04  -0.01  -0.05     0.05  -0.01  -0.12
    10   1     0.16  -0.11   0.13     0.12  -0.17   0.11    -0.11   0.09  -0.09
    11   1    -0.44  -0.10   0.51     0.49  -0.22   0.45    -0.27   0.16  -0.32
    12   1    -0.02   0.09   0.09    -0.25   0.07   0.19    -0.33   0.20   0.31
    13   1    -0.05   0.05   0.15    -0.01   0.08   0.31    -0.00   0.09   0.47
    14   1     0.05  -0.04   0.02    -0.19  -0.05   0.19    -0.22  -0.12   0.41
    15   1    -0.20  -0.16  -0.01     0.13   0.09   0.01    -0.01  -0.00  -0.01
    16   1    -0.25   0.09   0.00     0.16  -0.06  -0.00    -0.05   0.03   0.00
    17   1    -0.03   0.19   0.02     0.02  -0.13  -0.01    -0.01   0.04   0.00
    18   1     0.23   0.16   0.03    -0.13  -0.10  -0.02     0.06   0.04   0.01
    19   1     0.27  -0.11   0.01    -0.13   0.04   0.01     0.05  -0.01  -0.01
    20   1    -0.09   0.08  -0.20    -0.11   0.08  -0.13     0.07  -0.07   0.13
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.8963              1491.9418              1496.3806
 Red. masses --      1.4810                 1.2224                 1.1326
 Frc consts  --      1.9395                 1.6031                 1.4942
 IR Inten    --      3.2431                12.5479                 1.7831
 RamAct Fr= 1--      2.4774                 3.6512                 5.4833
  Dep-P Fr= 1--      0.7418                 0.7288                 0.6935
  Dep-U Fr= 1--      0.8518                 0.8431                 0.8190
 Alpha2 Fr= 1--      0.0003                 0.0013                 0.0054
 Beta2  Fr= 1--      0.3517                 0.5131                 0.7485
 AlphaG Fr= 1--     -0.0037                 0.0009                -0.0403
 Gamma2 Fr= 1--      4.1645                -3.9984                -1.1054
 Delta2 Fr= 1--     -1.0785                 1.7448                -1.3676
 Raman1 Fr= 1--       9.910                 14.605                 21.933
 ROA1   Fr= 1--     365.281               -328.012               -149.884
 CID1   Fr= 1--      36.861                -22.459                 -6.834
 Raman2 Fr= 1--       4.220                  6.157                  8.981
 ROA2   Fr= 1--     108.576               -109.920                -15.590
 CID2   Fr= 1--      25.726                -17.853                 -1.736
 Raman3 Fr= 1--       8.441                 12.314                 17.963
 ROA3   Fr= 1--     365.281               -328.012               -149.884
 CID3   Fr= 1--      43.275                -26.638                 -8.344
 RC180  Fr= 1--       0.704                  0.686                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.01   0.00    -0.06  -0.00  -0.00     0.03  -0.00   0.00
     2   6    -0.04  -0.05  -0.01     0.04   0.02   0.00    -0.02  -0.01  -0.00
     3   6    -0.02   0.10   0.01     0.01  -0.06  -0.01    -0.01   0.04   0.00
     4   6     0.07  -0.02  -0.00    -0.04   0.02   0.00     0.02  -0.01  -0.00
     5   6    -0.08  -0.03  -0.01     0.05   0.01   0.00    -0.03  -0.01  -0.00
     6   6    -0.02   0.08   0.01     0.01  -0.05  -0.01    -0.01   0.04   0.00
     7   6    -0.00  -0.03  -0.01    -0.03  -0.00  -0.00     0.03  -0.03   0.01
     8   7     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6    -0.04  -0.01  -0.02    -0.02  -0.04  -0.01     0.03  -0.03   0.02
    10   1     0.01  -0.04   0.01     0.02  -0.05   0.02     0.01   0.02   0.00
    11   1    -0.15  -0.00  -0.02     0.20  -0.04  -0.02    -0.12   0.01  -0.05
    12   1     0.23   0.42   0.19     0.45   0.42   0.08     0.25  -0.15  -0.23
    13   1     0.00  -0.07  -0.28    -0.08   0.37  -0.33    -0.12   0.62   0.04
    14   1     0.31  -0.16   0.37    -0.05  -0.13   0.39    -0.60   0.08  -0.09
    15   1    -0.09  -0.15  -0.01     0.04   0.08   0.01    -0.01  -0.04  -0.01
    16   1     0.16  -0.13  -0.01    -0.14   0.09   0.01     0.08  -0.06  -0.00
    17   1     0.05  -0.39  -0.04    -0.04   0.24   0.03     0.02  -0.16  -0.02
    18   1    -0.19  -0.21  -0.03     0.09   0.12   0.02    -0.05  -0.08  -0.01
    19   1     0.06  -0.10  -0.01    -0.09   0.08   0.01     0.06  -0.05  -0.00
    20   1    -0.01  -0.01   0.03    -0.03   0.00   0.02    -0.01   0.02  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1532.7138              1629.5175              1647.5853
 Red. masses --      2.1769                 5.3851                 5.4922
 Frc consts  --      3.0131                 8.4248                 8.7840
 IR Inten    --      8.1307                 0.6492                 3.9181
 RamAct Fr= 1--      0.1067                 7.4876                33.7939
  Dep-P Fr= 1--      0.5034                 0.7338                 0.6141
  Dep-U Fr= 1--      0.6697                 0.8464                 0.7609
 Alpha2 Fr= 1--      0.0005                 0.0021                 0.0843
 Beta2  Fr= 1--      0.0119                 1.0563                 4.2857
 AlphaG Fr= 1--     -0.0001                -0.0007                 0.0547
 Gamma2 Fr= 1--      0.2099                -0.1483                 0.3437
 Delta2 Fr= 1--     -0.0910                -0.0577                -0.1585
 Raman1 Fr= 1--       0.427                 29.950                135.176
 ROA1   Fr= 1--      17.242                -16.085                 27.923
 CID1   Fr= 1--      40.412                 -0.537                  0.207
 Raman2 Fr= 1--       0.143                 12.676                 51.428
 ROA2   Fr= 1--       5.766                 -3.097                  9.517
 CID2   Fr= 1--      40.363                 -0.244                  0.185
 Raman3 Fr= 1--       0.286                 25.351                102.856
 ROA3   Fr= 1--      17.242                -16.085                 27.923
 CID3   Fr= 1--      60.347                 -0.634                  0.271
 RC180  Fr= 1--       0.339                  0.693                  0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.12  -0.02    -0.03  -0.21  -0.02    -0.26  -0.12  -0.02
     2   6    -0.09   0.08   0.01    -0.14   0.17   0.02     0.29  -0.04   0.00
     3   6     0.13   0.03   0.01     0.06  -0.29  -0.03    -0.21  -0.04  -0.01
     4   6    -0.05  -0.11  -0.01     0.05   0.19   0.02     0.28   0.13   0.02
     5   6    -0.13   0.09   0.01     0.11  -0.19  -0.02    -0.28   0.02  -0.01
     6   6     0.10   0.02   0.01    -0.05   0.35   0.04     0.13   0.04   0.01
     7   6    -0.02  -0.01  -0.00    -0.02   0.04   0.01     0.02   0.01   0.00
     8   7    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01   0.01
     9   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.01
    10   1     0.01  -0.02   0.01    -0.01   0.07  -0.01    -0.02   0.08  -0.01
    11   1    -0.06  -0.00   0.00     0.25  -0.01   0.01     0.03   0.00  -0.01
    12   1     0.04   0.05   0.02    -0.01  -0.00   0.01    -0.02  -0.00   0.00
    13   1    -0.00  -0.01  -0.06     0.00  -0.02  -0.00     0.00   0.01   0.03
    14   1     0.04  -0.02   0.04     0.02   0.00  -0.02    -0.02  -0.00   0.00
    15   1     0.40   0.22   0.04    -0.28  -0.06  -0.02    -0.29  -0.31  -0.04
    16   1     0.47  -0.14  -0.00    -0.24  -0.07  -0.01     0.27  -0.20  -0.01
    17   1     0.13  -0.00   0.00     0.07  -0.47  -0.05     0.16  -0.01   0.01
    18   1     0.39   0.24   0.04     0.24  -0.02   0.00     0.22   0.26   0.04
    19   1     0.43  -0.11  -0.00     0.32  -0.00   0.01    -0.31   0.21   0.02
    20   1    -0.01  -0.00   0.02     0.03   0.01  -0.05     0.02   0.02  -0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1659.7761              3023.8511              3033.0129
 Red. masses --      1.0940                 1.0776                 1.0434
 Frc consts  --      1.7757                 5.8056                 5.6555
 IR Inten    --     26.8895                12.2365                26.0649
 RamAct Fr= 1--      3.3579               138.4188                86.5870
  Dep-P Fr= 1--      0.7427                 0.1001                 0.0555
  Dep-U Fr= 1--      0.8523                 0.1820                 0.1052
 Alpha2 Fr= 1--      0.0004                 2.4228                 1.6880
 Beta2  Fr= 1--      0.4770                 4.1992                 1.5180
 AlphaG Fr= 1--      0.0060                 0.5318                -0.2344
 Gamma2 Fr= 1--      0.3795                 2.0367                 0.6694
 Delta2 Fr= 1--      0.7473                 0.2682                -0.2144
 Raman1 Fr= 1--      13.432                553.675                346.348
 ROA1   Fr= 1--      60.349                204.100                 57.404
 CID1   Fr= 1--       4.493                  0.369                  0.166
 Raman2 Fr= 1--       5.724                 50.390                 18.216
 ROA2   Fr= 1--       3.131                 46.735                 17.782
 CID2   Fr= 1--       0.547                  0.927                  0.976
 Raman3 Fr= 1--      11.448                100.780                 36.433
 ROA3   Fr= 1--      60.349                204.100                 57.404
 CID3   Fr= 1--       5.271                  2.025                  1.576
 RC180  Fr= 1--       0.705                 -0.636                 -0.790
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.03  -0.01   0.00    -0.01  -0.07  -0.02    -0.01  -0.03  -0.01
     8   7     0.01  -0.05   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.01    -0.00   0.02   0.01     0.02  -0.02  -0.04
    10   1    -0.08   0.69  -0.09     0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.05  -0.03   0.03     0.13   0.86   0.22     0.06   0.38   0.10
    12   1    -0.00   0.04   0.03    -0.05   0.07  -0.08     0.19  -0.27   0.31
    13   1     0.01  -0.01  -0.02     0.12   0.03   0.01    -0.47  -0.10  -0.03
    14   1     0.01  -0.02   0.04    -0.05  -0.39  -0.11     0.08   0.61   0.17
    15   1     0.02   0.01  -0.00    -0.01   0.01   0.00     0.01  -0.01  -0.00
    16   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.01  -0.02  -0.00    -0.01  -0.01  -0.00
    20   1     0.14   0.16  -0.67    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.8401              3115.2295              3156.3850
 Red. masses --      1.0978                 1.1031                 1.0863
 Frc consts  --      6.1952                 6.3076                 6.3766
 IR Inten    --     30.6352                23.2187                 9.1774
 RamAct Fr= 1--     74.8774                90.3139                29.9696
  Dep-P Fr= 1--      0.3261                 0.6899                 0.2168
  Dep-U Fr= 1--      0.4918                 0.8165                 0.3564
 Alpha2 Fr= 1--      0.7092                 0.0951                 0.3891
 Beta2  Fr= 1--      6.1375                12.2906                 1.7802
 AlphaG Fr= 1--     -0.0553                 0.0435                -0.0043
 Gamma2 Fr= 1--     -1.8603                 1.5440                -0.4222
 Delta2 Fr= 1--     -6.6348                 6.6740                -0.1249
 Raman1 Fr= 1--     299.510                361.256                119.878
 ROA1   Fr= 1--    -390.901                361.796                -44.524
 CID1   Fr= 1--      -1.305                  1.001                 -0.371
 Raman2 Fr= 1--      73.649                147.487                 21.363
 ROA2   Fr= 1--       8.431                -16.336                 -9.132
 CID2   Fr= 1--       0.114                 -0.111                 -0.427
 Raman3 Fr= 1--     147.299                294.975                 42.725
 ROA3   Fr= 1--    -390.901                361.796                -44.524
 CID3   Fr= 1--      -2.654                  1.227                 -1.042
 RC180  Fr= 1--      -0.016                  0.633                 -0.287
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.02   0.03   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.02  -0.06  -0.01
     3   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.02   0.02   0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.00   0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.03  -0.08   0.01    -0.08   0.02  -0.04    -0.00   0.00  -0.00
    10   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.02   0.15   0.04     0.00   0.00   0.00     0.01   0.02   0.01
    12   1    -0.23   0.29  -0.37     0.30  -0.42   0.50     0.00  -0.00   0.00
    13   1     0.52   0.09   0.03     0.67   0.15   0.03     0.00   0.00  -0.00
    14   1     0.07   0.61   0.18    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
    15   1     0.02  -0.02  -0.00    -0.01   0.01   0.00     0.22  -0.28  -0.02
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.09   0.24   0.03
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.20  -0.03  -0.01
    18   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.24  -0.31  -0.03
    19   1    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.28   0.72   0.09
    20   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3158.9430              3172.4675              3180.9528
 Red. masses --      1.0866                 1.0889                 1.0931
 Frc consts  --      6.3883                 6.4568                 6.5166
 IR Inten    --      5.8521                 3.1966                31.6049
 RamAct Fr= 1--     77.5023               130.9091                44.4781
  Dep-P Fr= 1--      0.7458                 0.4585                 0.7499
  Dep-U Fr= 1--      0.8544                 0.6288                 0.8571
 Alpha2 Fr= 1--      0.0055                 0.7751                 0.0001
 Beta2  Fr= 1--     11.0362                13.7184                 6.3536
 AlphaG Fr= 1--     -0.0016                -0.0129                 0.0003
 Gamma2 Fr= 1--     -0.7373                -0.7598                 0.0691
 Delta2 Fr= 1--     -1.3166                -0.8982                 0.8158
 Raman1 Fr= 1--     310.009                523.636                177.912
 ROA1   Fr= 1--    -112.914               -101.681                 32.743
 CID1   Fr= 1--      -0.364                 -0.194                  0.184
 Raman2 Fr= 1--     132.434                164.621                 76.243
 ROA2   Fr= 1--      -7.163                -11.050                 -4.868
 CID2   Fr= 1--      -0.054                 -0.067                 -0.064
 Raman3 Fr= 1--     264.869                329.242                152.487
 ROA3   Fr= 1--    -112.914               -101.681                 32.743
 CID3   Fr= 1--      -0.426                 -0.309                  0.215
 RC180  Fr= 1--       0.709                  0.258                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.02  -0.03  -0.00     0.04  -0.04  -0.00
     2   6    -0.01  -0.04  -0.00    -0.01  -0.03  -0.00    -0.01  -0.02  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.04  -0.05  -0.00    -0.02   0.03   0.00     0.02  -0.02  -0.00
     5   6     0.01   0.03   0.00     0.01   0.03   0.00    -0.02  -0.05  -0.01
     6   6    -0.01  -0.00  -0.00    -0.05  -0.01  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1     0.00   0.01   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    12   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   1     0.00   0.02   0.01    -0.00  -0.01  -0.00     0.00   0.01   0.00
    15   1    -0.48   0.62   0.05     0.23  -0.30  -0.03    -0.18   0.23   0.02
    16   1    -0.14  -0.36  -0.05    -0.14  -0.35  -0.05     0.24   0.60   0.08
    17   1     0.09   0.01   0.00     0.64   0.09   0.03     0.02  -0.00   0.00
    18   1     0.08  -0.10  -0.01    -0.26   0.33   0.03    -0.40   0.51   0.05
    19   1     0.16   0.41   0.05     0.12   0.30   0.04     0.09   0.22   0.03
    20   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3193.8316              3478.1368              3555.2504
 Red. masses --      1.0973                 1.0485                 1.0929
 Frc consts  --      6.5947                 7.4732                 8.1390
 IR Inten    --     16.1824                 1.4087                 0.5000
 RamAct Fr= 1--    315.1076                83.6484                35.0064
  Dep-P Fr= 1--      0.0965                 0.0666                 0.7088
  Dep-U Fr= 1--      0.1760                 0.1250                 0.8296
 Alpha2 Fr= 1--      5.5649                 1.5879                 0.0250
 Beta2  Fr= 1--      9.2408                 1.7421                 4.8402
 AlphaG Fr= 1--     -0.0550                -0.1475                -0.0857
 Gamma2 Fr= 1--     -0.4048                -0.1492                -0.3142
 Delta2 Fr= 1--     -0.3668                -1.5995                 1.3044
 Raman1 Fr= 1--    1260.430                334.594                140.026
 ROA1   Fr= 1--     -50.601                -65.506                 11.582
 CID1   Fr= 1--      -0.040                 -0.196                  0.083
 Raman2 Fr= 1--     110.889                 20.906                 58.083
 ROA2   Fr= 1--      -6.782                  9.215                -17.975
 CID2   Fr= 1--      -0.061                  0.441                 -0.309
 Raman3 Fr= 1--     221.778                 41.812                116.165
 ROA3   Fr= 1--     -50.601                -65.506                 11.582
 CID3   Fr= 1--      -0.228                 -1.567                  0.100
 RC180  Fr= 1--      -0.648                 -0.750                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.01  -0.04  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.06  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00    -0.02  -0.04   0.03     0.02  -0.05  -0.06
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.29  -0.08  -0.60    -0.34   0.05   0.65
    11   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00   0.01   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.09   0.11   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.16   0.42   0.05    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.72   0.10   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.29  -0.38  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    19   1    -0.05  -0.12  -0.02     0.00   0.00  -0.00     0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.03   0.70   0.20     0.00   0.65   0.16

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   525.114091659.442701822.33125
           X            0.99994  -0.00194  -0.01109
           Y            0.00196   1.00000   0.00193
           Z            0.01108  -0.00195   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16494     0.05219     0.04753
 Rotational constants (GHZ):           3.43686     1.08756     0.99035
 Zero-point vibrational energy     455728.5 (Joules/Mol)
                                  108.92173 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.61   184.43   305.35   358.58   381.45
          (Kelvin)            453.92   486.16   594.08   703.24   792.86
                              860.89   918.86  1024.72  1099.29  1120.51
                             1226.37  1254.38  1318.68  1334.28  1377.80
                             1401.13  1453.95  1473.23  1497.82  1520.54
                             1592.72  1639.28  1704.17  1734.00  1746.34
                             1823.14  1883.48  1948.39  1984.68  2015.00
                             2029.28  2145.07  2146.57  2152.96  2205.23
                             2344.51  2370.51  2388.05  4350.65  4363.83
                             4452.78  4482.12  4541.33  4545.01  4564.47
                             4576.68  4595.21  5004.26  5115.21
 
 Zero-point correction=                           0.173578 (Hartree/Particle)
 Thermal correction to Energy=                    0.182170
 Thermal correction to Enthalpy=                  0.183114
 Thermal correction to Gibbs Free Energy=         0.139606
 Sum of electronic and zero-point Energies=           -366.227424
 Sum of electronic and thermal Energies=              -366.218832
 Sum of electronic and thermal Enthalpies=            -366.217887
 Sum of electronic and thermal Free Energies=         -366.261396
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.313             33.057             91.571
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.853
 Vibrational            112.536             27.096             22.430
 Vibration     1          0.593              1.985              6.211
 Vibration     2          0.611              1.925              2.973
 Vibration     3          0.643              1.822              2.024
 Vibration     4          0.662              1.764              1.736
 Vibration     5          0.671              1.737              1.628
 Vibration     6          0.703              1.644              1.333
 Vibration     7          0.718              1.600              1.222
 Vibration     8          0.777              1.442              0.916
 Vibration     9          0.845              1.275              0.687
 Vibration    10          0.906              1.137              0.542
 Vibration    11          0.956              1.035              0.453
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.610700D-64        -64.214172       -147.858596
 Total V=0       0.422685D+16         15.626017         35.980233
 Vib (Bot)       0.258493D-77        -77.587551       -178.651939
 Vib (Bot)    1  0.836664D+01          0.922551          2.124253
 Vib (Bot)    2  0.159113D+01          0.201706          0.464446
 Vib (Bot)    3  0.935028D+00         -0.029175         -0.067179
 Vib (Bot)    4  0.783396D+00         -0.106018         -0.244116
 Vib (Bot)    5  0.730761D+00         -0.136225         -0.313669
 Vib (Bot)    6  0.597432D+00         -0.223712         -0.515115
 Vib (Bot)    7  0.550255D+00         -0.259436         -0.597374
 Vib (Bot)    8  0.427545D+00         -0.369019         -0.849697
 Vib (Bot)    9  0.339588D+00         -0.469048         -1.080023
 Vib (Bot)   10  0.284486D+00         -0.545938         -1.257070
 Vib (Bot)   11  0.249975D+00         -0.602103         -1.386393
 Vib (V=0)       0.178911D+03          2.252638          5.186890
 Vib (V=0)    1  0.888157D+01          0.948490          2.183978
 Vib (V=0)    2  0.216784D+01          0.336028          0.773733
 Vib (V=0)    3  0.156032D+01          0.193213          0.444891
 Vib (V=0)    4  0.142936D+01          0.155142          0.357227
 Vib (V=0)    5  0.138544D+01          0.141589          0.326021
 Vib (V=0)    6  0.127905D+01          0.106889          0.246121
 Vib (V=0)    7  0.124349D+01          0.094643          0.217924
 Vib (V=0)    8  0.115787D+01          0.063660          0.146583
 Vib (V=0)    9  0.110442D+01          0.043133          0.099318
 Vib (V=0)   10  0.107527D+01          0.031516          0.072569
 Vib (V=0)   11  0.105901D+01          0.024898          0.057331
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.451094D+06          5.654267         13.019431
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       333333333                                               111 1111 1111 11111111111                                    
     5  4       111111000                                               666 5444 4433 32221110000999988 77 7  65 5 4  4 33 222  1    
     5  7       987551932                                               643 3999 1075 06108305421752175 76 1  39 5 8  1 31 641  2   2
     5  8       412965534                                               080 3621 0094 97454977141487722 94 2  98 1 9  3 85 592  8   5
 
     X  X       XXXXXXXXX                                               XXX XXXX XXXX XXX XXXXXXXXXXXXX XX X   X X X  X XX XXX  X   X
                XX   XXX                                                X                     X      X  XX X     X          X        
                 X   XXX                                                X                     X      X   X X                X        
                                                                                                     X     X                         
                                                                                                     X     X                         
                                                                                                     X     X                         
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002670    0.000007893    0.000001968
      2        6          -0.000004194   -0.000000349    0.000000855
      3        6          -0.000008447    0.000002333   -0.000002740
      4        6           0.000006527    0.000002939    0.000001733
      5        6          -0.000005445   -0.000001554    0.000000674
      6        6          -0.000003923   -0.000007472   -0.000002398
      7        6           0.000031443   -0.000013167    0.000026803
      8        7          -0.000017494    0.000008271   -0.000012223
      9        6           0.000002935   -0.000011877   -0.000012023
     10        1           0.000003000   -0.000000962   -0.000002368
     11        1          -0.000003885    0.000000095   -0.000008171
     12        1          -0.000003120    0.000002496    0.000000140
     13        1           0.000002069    0.000005182    0.000002873
     14        1          -0.000003742    0.000004462    0.000000181
     15        1           0.000000237   -0.000002108   -0.000000437
     16        1          -0.000000115   -0.000002175    0.000000825
     17        1          -0.000001199    0.000000798    0.000001933
     18        1          -0.000001813    0.000000163   -0.000000529
     19        1           0.000001794    0.000001782   -0.000000338
     20        1           0.000002700    0.000003251    0.000003243
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000031443 RMS     0.000007393
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132795D+03 -0.232081D+00  0.763732D+00
      2  -0.232081D+00  0.106148D+03  0.260455D+01
      3   0.763732D+00  0.260455D+01  0.759912D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.520226D+00  0.308591D+01  0.160297D+01
      2   0.207928D+00  0.778528D+01 -0.183083D+02
      3  -0.466156D+01 -0.342684D+02 -0.772950D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.681992D+02  0.873179D+00 -0.148212D+00
      2  -0.130283D+02  0.693502D-01 -0.562186D+01
      3  -0.551709D+02 -0.942529D+00  0.577008D+01
      4   0.159642D+01  0.722507D+02  0.179113D+02
      5   0.128188D+02  0.181754D+02 -0.455069D+02
      6   0.736801D+01  0.802560D+01 -0.104663D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.236690D+01 -0.660742D+00 -0.219669D+00 -0.499153D+01 -0.114932D+01
      2  -0.660742D+00  0.260035D+01  0.299911D+00 -0.114932D+01 -0.529470D+00
      3  -0.219669D+00  0.299911D+00  0.148692D+01 -0.526778D+00  0.590391D+00
                 6             7             8             9            10 
      1  -0.526778D+00 -0.101670D+01 -0.425384D+00  0.271295D+01  0.541061D+01
      2   0.590391D+00 -0.425384D+00  0.958296D+00 -0.310559D+01  0.234174D+01
      3  -0.174258D+01  0.271295D+01 -0.310559D+01 -0.692977D+00  0.574892D+00
                11            12            13            14            15 
      1   0.234174D+01  0.574892D+00 -0.655033D+01 -0.204224D+00  0.162424D-01
      2  -0.206806D+01  0.183651D-01 -0.204224D+00 -0.119774D+01  0.603939D+00
      3   0.183651D-01 -0.920803D+00  0.162424D-01  0.603939D+00 -0.223814D+01
                16            17            18            19            20 
      1  -0.567560D+00  0.571021D+00 -0.112177D+01 -0.163252D+02 -0.123989D+01
      2   0.571021D+00  0.775711D+00 -0.389941D+01 -0.123989D+01 -0.218256D+01
      3  -0.112177D+01 -0.389941D+01 -0.147691D+01  0.368715D-01 -0.383404D-02
                21            22            23            24            25 
      1   0.368715D-01 -0.260437D+01  0.172473D+01  0.744604D+00 -0.150811D+00
      2  -0.383404D-02  0.172473D+01 -0.683795D+00 -0.105337D+00  0.528802D+00
      3  -0.213075D+01  0.744604D+00 -0.105337D+00  0.175328D+00 -0.374140D+01
                26            27            28            29            30 
      1   0.528802D+00 -0.374140D+01  0.387154D+01 -0.857465D+00  0.354718D+00
      2  -0.312244D+00 -0.290963D+00 -0.857465D+00 -0.291516D+01 -0.274902D+00
      3  -0.290963D+00  0.109117D+00  0.354718D+00 -0.274902D+00 -0.136231D+01
                31            32            33            34            35 
      1   0.770615D+01 -0.837810D-01  0.285948D+00  0.124730D+01  0.871476D-01
      2  -0.837810D-01  0.891227D+00 -0.479434D+00  0.871476D-01 -0.879145D+00
      3   0.285948D+00 -0.479434D+00  0.181068D+01 -0.168715D+01  0.310301D+01
                36            37            38            39            40 
      1  -0.168715D+01 -0.425006D+01 -0.427126D+00 -0.312883D+00  0.506433D+01
      2   0.310301D+01 -0.427126D+00  0.157451D+01 -0.116180D+00 -0.144925D+00
      3   0.538684D+00 -0.312883D+00 -0.116180D+00  0.809963D+00 -0.974411D-01
                41            42            43            44            45 
      1  -0.144925D+00 -0.974411D-01  0.230784D+00 -0.387271D+00  0.186485D+01
      2   0.879153D+00 -0.589874D+00 -0.387271D+00 -0.718553D+00  0.367929D+01
      3  -0.589874D+00  0.205530D+01  0.186485D+01  0.367929D+01  0.127653D+01
                46            47            48            49            50 
      1   0.548266D+01  0.144543D+00 -0.871174D-01  0.392929D+00 -0.181006D+00
      2   0.144543D+00  0.308272D+01  0.395919D-01 -0.181006D+00 -0.653781D-01
      3  -0.871174D-01  0.395919D-01  0.256592D+01 -0.733207D+00 -0.196579D+00
                51            52            53            54            55 
      1  -0.733207D+00 -0.621100D-01 -0.643529D+00  0.526541D+01  0.266123D+01
      2  -0.196579D+00 -0.643529D+00 -0.463937D-01  0.588175D+00 -0.176388D+00
      3   0.289864D+00  0.526541D+01  0.588175D+00  0.489296D+00 -0.115127D+01
                56            57            58            59            60 
      1  -0.176388D+00 -0.115127D+01 -0.338827D+01  0.117669D+01 -0.111207D+01
      2   0.190866D-03 -0.689368D+00  0.117669D+01  0.624058D+01  0.214131D+01
      3  -0.689368D+00  0.300834D+01 -0.111207D+01  0.214131D+01 -0.120875D+01
                61            62            63            64            65 
      1  -0.110620D+01 -0.740044D+00  0.584973D+01 -0.361876D+01  0.129170D+01
      2  -0.740044D+00  0.145938D+01 -0.209445D+00  0.129170D+01 -0.155499D+00
      3   0.584973D+01 -0.209445D+00 -0.178964D+01 -0.106340D+01  0.982977D+00
                66            67            68            69            70 
      1  -0.106340D+01  0.340916D+01 -0.111373D+01  0.628757D+00 -0.224344D+01
      2   0.982977D+00 -0.111373D+01 -0.458315D+01 -0.132063D+01  0.571178D+00
      3  -0.464457D+01  0.628757D+00 -0.132063D+01  0.375296D+00 -0.491102D+01
                71            72            73            74            75 
      1   0.571178D+00 -0.491102D+01  0.815058D+01  0.202451D+01 -0.415863D+00
      2  -0.628024D+00  0.288893D+00  0.202451D+01 -0.875753D+00  0.721690D+00
      3   0.288893D+00  0.203666D+01 -0.415863D+00  0.721690D+00 -0.357110D+01
                76            77            78            79            80 
      1   0.321402D+01 -0.751240D+00  0.518251D+00  0.387206D+01  0.829056D+00
      2  -0.751240D+00 -0.366731D+01 -0.331751D+01  0.829056D+00 -0.275622D+01
      3   0.518251D+00 -0.331751D+01  0.196299D+01 -0.457198D+01  0.130228D+01
                81            82            83            84            85 
      1  -0.457198D+01 -0.525420D-01 -0.162786D+00 -0.772749D+00 -0.807097D+00
      2   0.130228D+01 -0.162786D+00  0.249914D+00 -0.231247D+00 -0.179254D-01
      3   0.745976D+00 -0.772749D+00 -0.231247D+00  0.288991D+01  0.464932D-01
                86            87            88            89            90 
      1  -0.179254D-01  0.464932D-01 -0.141359D+01  0.361759D-01  0.985831D+00
      2   0.138706D+00 -0.858362D+00  0.361759D-01 -0.101371D+01  0.509524D+00
      3  -0.858362D+00 -0.338938D+00  0.985831D+00  0.509524D+00 -0.769414D+01
                91            92            93            94            95 
      1  -0.649104D-01 -0.139682D+01 -0.272565D+00 -0.207912D+01 -0.156722D+01
      2  -0.139682D+01 -0.102735D+01 -0.200528D+00 -0.156722D+01 -0.713791D+01
      3  -0.272565D+00 -0.200528D+00 -0.704501D+00 -0.147075D+00 -0.127090D+01
                96            97            98            99           100 
      1  -0.147075D+00 -0.249330D+00 -0.157537D+00 -0.105615D+01  0.372323D+00
      2  -0.127090D+01 -0.157537D+00 -0.131605D+01 -0.127147D+01 -0.868506D+00
      3  -0.153038D+01 -0.105615D+01 -0.127147D+01 -0.882630D+00  0.913483D+00
               101           102           103           104           105 
      1  -0.868506D+00  0.913483D+00 -0.127546D+01  0.280774D+00 -0.541333D-01
      2   0.838515D+00 -0.732624D+00  0.280774D+00 -0.206040D+01  0.232217D+01
      3  -0.732624D+00  0.219360D+01 -0.541333D-01  0.232217D+01 -0.285605D+01
               106           107           108           109           110 
      1   0.698027D+00 -0.273464D+00  0.609628D+00 -0.128917D+02 -0.160412D+01
      2  -0.273464D+00  0.192491D+01 -0.221912D+01 -0.160412D+01 -0.116075D+01
      3   0.609628D+00 -0.221912D+01  0.531741D+01  0.194864D+01  0.187889D+00
               111           112           113           114           115 
      1   0.194864D+01 -0.219737D+01 -0.157404D+01  0.391287D+00 -0.433243D+00
      2   0.187889D+00 -0.157404D+01 -0.446588D+00  0.562704D+00 -0.795649D-02
      3  -0.153347D+01  0.391287D+00  0.562704D+00 -0.651650D+00 -0.841008D+00
               116           117           118           119           120 
      1  -0.795649D-02 -0.841008D+00 -0.715984D+00  0.725104D+00  0.365628D+00
      2   0.100551D+00 -0.388559D+00  0.725104D+00  0.164430D+00 -0.312463D-01
      3  -0.388559D+00  0.400408D-01  0.365628D+00 -0.312463D-01  0.646623D+00
               121           122           123           124           125 
      1   0.169869D+01 -0.544728D+00 -0.769442D+00  0.353787D+00 -0.260503D+00
      2  -0.544728D+00  0.548704D+01  0.219451D+01 -0.260503D+00  0.156123D+01
      3  -0.769442D+00  0.219451D+01  0.236332D+01  0.696697D-01  0.123928D+01
               126           127           128           129           130 
      1   0.696697D-01 -0.367842D+01  0.237877D+01  0.274700D-01  0.272651D+01
      2   0.123928D+01  0.237877D+01 -0.248419D+01 -0.151649D+00 -0.287186D+01
      3   0.174901D+01  0.274700D-01 -0.151649D+00 -0.467561D+00 -0.289318D+00
               131           132           133           134           135 
      1  -0.287186D+01 -0.289318D+00  0.354447D-01 -0.356519D+00  0.840759D-02
      2   0.587831D+01  0.427950D+00 -0.356519D+00  0.581422D+00  0.163531D+00
      3   0.427950D+00  0.817240D+00  0.840759D-02  0.163531D+00  0.108108D+00
               136           137           138           139           140 
      1   0.228587D+01  0.266518D+01  0.353153D+00  0.231339D+01  0.383816D+01
      2   0.266518D+01  0.279103D+01  0.354093D+00  0.383816D+01  0.970971D+01
      3   0.353153D+00  0.354093D+00  0.396517D+00  0.463478D+00  0.106314D+01
               141           142           143           144           145 
      1   0.463478D+00  0.464478D+00  0.521967D+00  0.201923D+00  0.132556D+02
      2   0.106314D+01  0.521967D+00  0.119429D+01  0.370277D+00  0.143880D+01
      3   0.106642D+01  0.201923D+00  0.370277D+00  0.255791D+00  0.482942D+00
               146           147           148           149           150 
      1   0.143880D+01  0.482942D+00  0.134626D+01  0.176475D+01  0.242348D+00
      2   0.952394D+00  0.379035D-01  0.176475D+01  0.547650D+00  0.838104D-01
      3   0.379035D-01  0.103155D+01  0.242348D+00  0.838104D-01  0.154708D+00
               151           152           153           154           155 
      1   0.476266D+00  0.242894D+00  0.880238D-01  0.517244D+01 -0.399437D+01
      2   0.242894D+00  0.506140D-01  0.420915D-01 -0.399437D+01  0.361075D+01
      3   0.880238D-01  0.420915D-01  0.166643D-01 -0.333225D+00  0.238891D+00
               156           157           158           159           160 
      1  -0.333225D+00 -0.382818D+01  0.450467D+01  0.453271D+00 -0.359974D+00
      2   0.238891D+00  0.450467D+01 -0.668805D+01 -0.591589D+00  0.439361D+00
      3   0.653191D+00  0.453271D+00 -0.591589D+00 -0.876283D+00  0.260592D+00
               161           162           163           164           165 
      1   0.439361D+00  0.260592D+00 -0.156233D+01 -0.179311D+01 -0.251606D+00
      2  -0.766346D+00 -0.243623D+00 -0.179311D+01 -0.214750D+01 -0.289060D+00
      3  -0.243623D+00 -0.111827D+00 -0.251606D+00 -0.289060D+00 -0.265771D+00
               166           167           168           169           170 
      1  -0.161660D+01 -0.192130D+01 -0.259882D+00 -0.101830D+00 -0.351108D+00
      2  -0.192130D+01 -0.891731D+01 -0.987856D+00 -0.351108D+00 -0.113883D+01
      3  -0.259882D+00 -0.987856D+00 -0.101513D+01  0.551874D-01 -0.310928D+00
               171           172           173           174           175 
      1   0.551874D-01 -0.113601D+01  0.170977D+00 -0.177448D+00  0.146688D+01
      2  -0.310928D+00  0.170977D+00 -0.847977D+00 -0.160672D+00 -0.116447D+01
      3  -0.177559D+00 -0.177448D+00 -0.160672D+00 -0.816857D-01  0.198672D+00
               176           177           178           179           180 
      1  -0.116447D+01  0.198672D+00  0.326649D+00 -0.224287D+00 -0.417199D-01
      2   0.620472D+01 -0.271859D+00 -0.224287D+00  0.969105D+00  0.652750D+00
      3  -0.271859D+00  0.138679D+01 -0.417199D-01  0.652750D+00  0.142392D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.728844D+00 -0.368439D+00  0.213537D+01 -0.110549D+01 -0.293181D+00
      2  -0.339008D+00  0.799141D+00  0.257963D+01 -0.492941D+00  0.172060D+01
      3   0.559221D+01 -0.846626D+01 -0.535775D+00  0.861840D+01  0.240513D+01
                 6             7             8             9            10 
      1  -0.156092D+01  0.581434D+01  0.402872D+01  0.644798D+00  0.755923D+00
      2  -0.512045D+01 -0.314454D+01 -0.951874D+01 -0.189062D+01  0.117212D+01
      3  -0.725868D+00  0.713483D+00 -0.139093D+01  0.492772D+01 -0.907453D+01
                11            12            13            14            15 
      1   0.731086D+00 -0.149373D+01  0.347568D+00  0.420426D+00 -0.267204D+01
      2   0.102566D+01 -0.109398D+01  0.144055D+01 -0.772791D-01 -0.168873D+01
      3  -0.552259D+01 -0.145317D+01  0.456053D+01  0.565124D+01 -0.220693D+00
                16            17            18            19            20 
      1  -0.434373D+01  0.128888D+01 -0.307559D+00 -0.113799D+01  0.971989D-02
      2  -0.127745D+02 -0.207979D+01 -0.119997D+01 -0.348184D+01 -0.551704D-01
      3  -0.621907D+00 -0.108240D+01  0.539057D+01  0.411881D+01  0.617176D+01
                21            22            23            24            25 
      1   0.643209D-01 -0.841705D+00 -0.192640D+01  0.146141D+01 -0.626092D+00
      2  -0.159559D+01 -0.717331D+00  0.638751D+00 -0.104198D+01 -0.157012D+02
      3   0.254993D+00  0.171809D+02  0.837999D+00 -0.281780D+00 -0.100633D+01
                26            27            28            29            30 
      1   0.950940D+01  0.155489D+01  0.330069D-01 -0.204793D+00  0.234066D+01
      2  -0.111229D+00 -0.178063D+01  0.569970D+00  0.378607D+00 -0.139895D+01
      3  -0.240669D+00  0.952699D+00 -0.806978D+00 -0.420472D+00  0.274051D+00
                31            32            33            34            35 
      1   0.310937D-01  0.905064D-01 -0.194822D+01  0.658804D+01  0.373186D+01
      2   0.173685D+01  0.107739D+00  0.163962D+01 -0.126244D+02  0.743838D+00
      3  -0.581885D+00 -0.583527D+01  0.242820D+00 -0.912860D+00  0.458316D+00
                36            37            38            39            40 
      1   0.552070D+00 -0.189021D+00  0.770021D+00 -0.195696D+01  0.626920D+00
      2   0.358203D+00 -0.188415D+00  0.110853D+01  0.808781D+00  0.564982D+00
      3  -0.589160D+01  0.393994D+01 -0.140139D+02 -0.136276D+01  0.410249D+01
                41            42            43            44            45 
      1  -0.117592D+00 -0.266489D+01 -0.492449D+01  0.106372D+01 -0.673290D+00
      2  -0.147753D+01  0.459141D+01 -0.740827D+01  0.852243D+01  0.222086D+01
      3   0.781756D-01  0.101657D+01  0.621609D+00  0.152332D+01 -0.469732D+01
                46            47            48            49            50 
      1   0.339822D+00 -0.253682D+00 -0.729921D+00 -0.132349D+00 -0.108927D+01
      2  -0.737139D-01 -0.180684D+00  0.669876D+01 -0.269966D+01 -0.105846D+00
      3  -0.331645D+01 -0.610127D+01  0.107487D+00  0.110745D+02 -0.377033D+01
                51            52            53            54            55 
      1   0.163388D+01 -0.178790D+01  0.108160D+02  0.144482D+01 -0.646957D+00
      2   0.129754D+01  0.692277D+01  0.245687D+01  0.115050D+01  0.555122D+01
      3   0.201986D+00  0.150813D+01  0.540891D-01 -0.128034D+01 -0.386914D+01
                56            57            58            59            60 
      1  -0.323824D+00  0.305933D+00  0.129213D+01  0.203540D+01 -0.276472D+01
      2   0.126860D+01 -0.304606D+01 -0.544618D+00 -0.537468D+01  0.238828D+01
      3   0.420277D+00 -0.628705D+00  0.113416D+02  0.130445D+02  0.614638D+01
                61            62            63            64            65 
      1   0.144126D+01  0.235019D+01 -0.153117D+01 -0.642053D+00  0.289655D+01
      2  -0.158971D+02  0.558163D+00  0.284997D+01 -0.188799D+01 -0.169958D+01
      3   0.938048D+00  0.662106D+01 -0.440279D+01  0.651427D+01 -0.943478D+01
                66            67            68            69            70 
      1   0.114427D+01 -0.462496D+00  0.791033D+01 -0.223512D+01 -0.445613D+00
      2   0.186872D+02  0.105723D+01  0.262505D+01  0.309487D-01  0.747624D+01
      3   0.358311D+01 -0.124748D+01 -0.157444D+02 -0.366948D+01  0.138878D+01
                71            72            73            74            75 
      1   0.528228D+01 -0.283673D+01  0.294742D+01 -0.237799D+01  0.343839D+00
      2   0.595857D+00 -0.118987D+02 -0.119998D+02 -0.459560D+01  0.137664D+02
      3  -0.495360D+01 -0.404424D+00  0.559692D+01 -0.695307D+01  0.108943D+01
                76            77            78            79            80 
      1   0.102542D-01 -0.673543D+01 -0.853879D+01 -0.102419D+01 -0.323302D+01
      2  -0.327768D+01  0.106530D+02 -0.596398D+01  0.797940D+01 -0.450042D+01
      3  -0.701833D+00 -0.120871D+02 -0.106196D+02 -0.688138D+00 -0.102223D+02
                81            82            83            84            85 
      1   0.442462D+01  0.335467D-01 -0.154072D+01 -0.132336D+01 -0.762986D+00
      2   0.418261D+01  0.452404D+01  0.884327D-01 -0.845655D+01 -0.144225D+01
      3   0.611655D+01 -0.806381D+00  0.926726D+00 -0.640859D+00  0.133727D+01
                86            87            88            89            90 
      1  -0.238293D+00  0.133899D+00 -0.779799D+00  0.246722D+01  0.232531D+01
      2   0.180755D+01  0.818386D+00 -0.755033D+01 -0.143501D+01  0.215956D+02
      3   0.711467D+00 -0.134755D+01 -0.543690D+00 -0.161787D+01  0.288647D+01
                91            92            93            94            95 
      1  -0.112398D+00 -0.180731D+00 -0.695672D+00 -0.272206D+00  0.365920D-01
      2   0.292351D+00  0.182939D+00  0.197856D+01 -0.556003D-01  0.264713D+01
      3  -0.385070D+01 -0.221667D+01 -0.220139D+00  0.218843D+01 -0.139066D+02
                96            97            98            99           100 
      1  -0.328351D+01 -0.555427D+00  0.744837D+00 -0.904368D+00 -0.136428D+01
      2   0.292778D+01  0.412539D+00  0.193273D+01  0.158279D+01 -0.457810D+01
      3  -0.290738D+01  0.309589D+00 -0.269094D+01 -0.140150D+01 -0.314388D+01
               101           102           103           104           105 
      1   0.217444D+01 -0.433726D-01  0.114321D+01 -0.317717D+01  0.136158D+01
      2   0.306915D+01 -0.583136D+01  0.299842D+01 -0.654855D+01  0.727649D+01
      3   0.227648D+01 -0.205758D+01  0.308678D+01 -0.478491D+01  0.576886D+01
               106           107           108           109           110 
      1  -0.125667D+00  0.428481D+01 -0.182838D+01 -0.169569D+01 -0.221710D+01
      2  -0.537942D+01  0.630770D+01 -0.139225D+02  0.107941D+02  0.166419D+01
      3  -0.128832D+01  0.470411D+01 -0.608943D+01 -0.101123D+01 -0.587094D+01
               111           112           113           114           115 
      1  -0.654175D+00 -0.186185D+01 -0.990126D-01 -0.258151D+00 -0.834599D-01
      2   0.499660D+01  0.184812D+01  0.637283D-01  0.184641D+01  0.979444D+00
      3   0.539876D-01 -0.267697D+01 -0.722927D+00  0.137006D+01  0.226085D+00
               116           117           118           119           120 
      1   0.840444D+00 -0.622366D+00  0.148337D+01  0.709872D+00 -0.226393D+00
      2   0.864670D+00  0.117584D+01 -0.930459D+00 -0.982645D+00 -0.151083D+01
      3   0.116751D+01 -0.855717D+00  0.265581D+01  0.834307D+00  0.171056D+00
               121           122           123           124           125 
      1   0.698000D-01  0.104534D+02  0.108521D+01 -0.167968D+00  0.402904D+01
      2  -0.128542D+01 -0.596874D+01 -0.512246D+01 -0.181226D+01 -0.274411D+01
      3   0.194595D+01  0.162135D+02  0.588565D+01 -0.204801D+00  0.427087D+01
               126           127           128           129           130 
      1   0.161730D+01  0.652518D+00 -0.422646D+00  0.237796D+01  0.304321D+00
      2  -0.418376D+01  0.116450D+01 -0.400691D+00  0.815744D+00 -0.578902D+00
      3   0.314076D+01 -0.105891D+02  0.433532D+01 -0.174570D+00  0.742966D+01
               131           132           133           134           135 
      1   0.141160D+00 -0.309128D+01  0.102713D-01  0.172313D+01  0.177694D-01
      2   0.605634D+00 -0.136267D+01 -0.190768D+01  0.282711D+00 -0.182558D+00
      3  -0.578210D+01 -0.905379D+00 -0.882331D+00 -0.845414D+00 -0.199908D+00
               136           137           138           139           140 
      1  -0.733826D-01 -0.450643D-02 -0.163011D+01 -0.447329D-01  0.376660D+00
      2   0.848568D-01  0.258221D+00  0.145081D+01  0.248830D+00  0.144721D+01
      3  -0.587921D+00 -0.212579D+01 -0.186340D+00 -0.145918D+01 -0.140588D+02
               141           142           143           144           145 
      1  -0.440619D+01  0.503901D+00  0.155404D+01 -0.364184D+00 -0.523716D-01
      2   0.300525D+01 -0.495658D+00 -0.297126D-01  0.494518D+00  0.567067D+00
      3  -0.139468D+01 -0.336731D+00 -0.164409D+01 -0.391549D+00 -0.937334D+00
               146           147           148           149           150 
      1   0.180294D+00 -0.677889D+00  0.118331D-01  0.113432D-01 -0.378737D+00
      2  -0.679393D-02  0.623988D+01  0.881598D+00  0.205030D+00  0.900253D+00
      3  -0.529742D+01  0.541928D-01 -0.408179D+01 -0.172896D+01 -0.242325D+00
               151           152           153           154           155 
      1   0.451709D+00  0.577941D+00 -0.452241D-02  0.118883D+00 -0.363624D+00
      2  -0.256839D+01 -0.193769D+00  0.686273D-01 -0.351024D-01 -0.404248D-01
      3  -0.596004D+00 -0.329556D+00 -0.183982D-01  0.167175D+01 -0.465515D+01
               156           157           158           159           160 
      1   0.229076D+01  0.215396D+00  0.215672D-01 -0.324457D+01 -0.680492D+00
      2   0.296310D+01  0.590163D+00 -0.893966D+00 -0.342895D+01 -0.718418D+00
      3  -0.105119D+00 -0.367108D+01  0.111312D+02  0.802242D+00 -0.701943D+00
               161           162           163           164           165 
      1   0.133372D+01 -0.132591D+00  0.126747D+00  0.248494D-01 -0.152579D+01
      2   0.312329D+00 -0.273657D+00 -0.804881D+00 -0.658008D+00  0.175476D+00
      3   0.127815D+01  0.127779D+00  0.621551D+01  0.415730D+01  0.582904D+00
               166           167           168           169           170 
      1   0.341749D-02  0.478531D+00 -0.419595D+01  0.478583D+00  0.172948D+01
      2  -0.693134D+00 -0.125071D+01  0.381250D+00 -0.161006D+01 -0.258953D+00
      3   0.704282D+01  0.910647D+01  0.124091D+01  0.107660D+01  0.138649D+01
               171           172           173           174           175 
      1  -0.332227D+00  0.151746D+00  0.761224D+00 -0.457316D-01  0.104470D+01
      2  -0.204016D-01 -0.177907D-01  0.783087D-01 -0.232910D+00  0.420776D+00
      3   0.390568D-02  0.179266D+01 -0.111303D+01 -0.111386D+00  0.912027D+00
               176           177           178           179           180 
      1  -0.960169D+01 -0.242760D+01  0.152523D+00 -0.105352D+01 -0.173898D+01
      2  -0.824139D+00 -0.337441D+01 -0.579292D+00 -0.159571D+01 -0.708595D+00
      3   0.191318D+02  0.211060D-01  0.100072D+01  0.355386D+01  0.208652D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.345328D+01  0.245601D+02  0.280710D+01 -0.267403D+02  0.570889D+01
      2  -0.549682D+00 -0.162851D+02 -0.378001D+00  0.260522D+02 -0.102737D+02
      3   0.400296D+01 -0.827503D+01 -0.242910D+01  0.688086D+00  0.456485D+01
      4   0.160455D+02  0.105829D+01  0.562313D+00 -0.648753D+00  0.110610D+02
      5   0.552913D+00  0.439295D+00  0.508287D+01 -0.317191D+01  0.442977D+01
      6   0.583768D-01 -0.125457D+01 -0.551885D+01  0.385279D+01 -0.365227D+01
                 6             7             8             9            10 
      1   0.415873D+00 -0.395222D+01  0.199548D+01  0.167798D+01  0.147287D+02
      2  -0.660241D+00  0.531596D+01 -0.414244D+01 -0.801627D+01 -0.101135D+02
      3   0.244368D+00 -0.136374D+01  0.214696D+01  0.633829D+01 -0.461521D+01
      4   0.456581D+01 -0.190662D+01  0.509292D+01 -0.149557D+02 -0.652209D+01
      5  -0.108085D+02  0.187472D+02 -0.153392D+02 -0.413134D+01 -0.304181D+00
      6   0.337276D+01 -0.767137D+01  0.116165D+02 -0.538455D+00 -0.616485D+00
                11            12            13            14            15 
      1  -0.116572D+02 -0.481627D+00 -0.764962D+00  0.112916D+02  0.275949D+01
      2   0.933542D+01  0.785054D-02 -0.905041D+01 -0.173165D+02 -0.436626D+01
      3   0.232178D+01  0.473776D+00  0.981537D+01  0.602488D+01  0.160676D+01
      4  -0.163316D+02 -0.151369D+01  0.102986D+02 -0.136995D+02 -0.730863D+00
      5  -0.134280D+01 -0.361361D+01  0.287242D+00 -0.994792D+00 -0.134095D+01
      6  -0.309207D+00  0.337620D+01 -0.268392D+01 -0.590134D+01  0.589263D+01
                16            17            18            19            20 
      1   0.115110D+01  0.236935D+01 -0.152418D+02 -0.194885D+02 -0.381311D+01
      2  -0.281220D+01 -0.601802D+01  0.231257D+01  0.489749D+01  0.245064D+01
      3   0.166110D+01  0.364867D+01  0.129292D+02  0.145910D+02  0.136246D+01
      4  -0.518166D+00 -0.119694D+01 -0.659212D+01 -0.241023D+01  0.211778D+01
      5   0.574389D+01 -0.497100D+01 -0.185303D+01 -0.268690D+01 -0.679827D+00
      6   0.192685D+01  0.159796D+02  0.237710D+01 -0.175095D+01  0.407911D+00
                21            22            23            24            25 
      1  -0.121890D+01  0.292389D+01 -0.138909D+02 -0.819943D+00 -0.217706D+01
      2  -0.149925D+00 -0.647812D+01  0.200385D+02  0.396269D+01 -0.682028D+00
      3   0.136882D+01  0.355423D+01 -0.614762D+01 -0.314275D+01  0.285909D+01
      4  -0.378982D+00 -0.146081D+02 -0.167046D+01  0.166930D+00 -0.287419D+01
      5   0.249152D+01 -0.329147D+01 -0.113934D+00 -0.133726D+01  0.514305D+01
      6   0.202805D+01 -0.238333D+01  0.342400D+01 -0.355210D+01  0.238634D+01
                26            27            28            29            30 
      1  -0.189287D+01 -0.671596D+01 -0.322079D+01  0.168070D+02  0.196896D+01
      2   0.298940D+01 -0.518824D+01  0.225627D+01 -0.125873D+02  0.512153D+00
      3  -0.109653D+01  0.119042D+02  0.964517D+00 -0.421972D+01 -0.248112D+01
      4   0.103078D+01 -0.702588D-01  0.143157D+02 -0.104435D+02 -0.309803D+00
      5  -0.102181D+00 -0.187512D+01 -0.201941D+00 -0.537326D+00 -0.309601D+01
      6   0.365444D+01 -0.118905D+01  0.123633D+01 -0.859997D+00 -0.538169D+01
                31            32            33            34            35 
      1  -0.651188D+01  0.605973D+01  0.220664D+01 -0.182980D+01  0.333916D+01
      2   0.170458D+02 -0.948598D+01 -0.167341D+01  0.464251D+01 -0.436685D+01
      3  -0.105339D+02  0.342624D+01 -0.533228D+00 -0.281272D+01  0.102769D+01
      4   0.619440D+01  0.151310D+02  0.162267D+01  0.168676D+01  0.804242D+00
      5   0.683201D+00  0.179154D+01 -0.286151D+00  0.161588D+01  0.133715D+01
      6   0.485760D+01 -0.312568D+01  0.450016D+01 -0.615739D+01  0.115580D+02
                36            37            38            39            40 
      1  -0.146875D+02  0.123689D+02 -0.217863D+02 -0.182733D+01  0.190878D+02
      2   0.190195D+01 -0.132796D+02  0.147177D+02  0.185080D+00 -0.174406D+02
      3   0.127855D+02  0.910675D+00  0.706868D+01  0.164225D+01 -0.164725D+01
      4   0.321465D+01 -0.180947D+02 -0.649519D+01 -0.189956D+01  0.105467D+02
      5  -0.637314D+00 -0.146758D+01 -0.154556D+01  0.252878D+00 -0.499028D+00
      6  -0.891876D+00 -0.276453D+01 -0.229813D+00  0.400959D+01 -0.243741D+01
                41            42            43            44            45 
      1   0.129380D+02  0.210585D+01  0.204637D+01  0.492066D+00 -0.524409D+01
      2  -0.191184D+02 -0.357552D+01 -0.386373D+01 -0.488482D+01 -0.296560D+01
      3   0.618041D+01  0.146967D+01  0.181736D+01  0.439276D+01  0.820970D+01
      4  -0.623707D+01 -0.337429D+01 -0.181978D+01 -0.520724D+01  0.139972D+02
      5  -0.329068D+01  0.949611D+01  0.118695D+02  0.145213D+02  0.471511D+01
      6  -0.598411D+01  0.555597D+01  0.673211D+01  0.151156D+02  0.212633D+01
                46            47            48            49            50 
      1  -0.150136D+02 -0.435449D+01 -0.225672D+01  0.108037D+02 -0.237678D+02
      2   0.106915D+02  0.303348D+01  0.107318D+01 -0.104071D+02  0.213596D+02
      3   0.432208D+01  0.132101D+01  0.118354D+01 -0.396638D+00  0.240815D+01
      4  -0.231950D+01  0.206374D+02  0.439170D+00 -0.199990D+02 -0.232451D+01
      5  -0.269779D+01  0.198414D+00  0.147159D+02 -0.589808D+01 -0.135556D+01
      6   0.865715D+00  0.104639D+00  0.178052D+01 -0.185162D+01  0.249529D+01
                51            52            53            54            55 
      1  -0.428251D+01 -0.120080D+01 -0.457387D+01  0.134515D+02  0.113777D+02
      2   0.491874D+01 -0.942141D+00  0.364472D+01 -0.170954D+02 -0.400939D+01
      3  -0.636229D+00  0.214294D+01  0.929149D+00  0.364393D+01 -0.736834D+01
      4  -0.167755D+01 -0.673040D+01 -0.847271D+00  0.383236D+01  0.496379D+01
      5   0.282417D+01  0.359459D+02  0.404678D+01  0.266999D+01  0.486897D+01
      6  -0.280454D+01  0.258986D+01  0.451967D+01 -0.217483D+01 -0.438692D+00
                56            57            58            59            60 
      1   0.352260D+00  0.991453D+00  0.140139D+02  0.693665D+01  0.474524D+01
      2  -0.691726D+00 -0.333393D+01 -0.138122D+02 -0.154512D+02 -0.743884D+01
      3   0.339466D+00  0.234247D+01 -0.201709D+00  0.851459D+01  0.269360D+01
      4  -0.629554D+01  0.228208D+01 -0.679833D+01 -0.260337D+02 -0.102540D+02
      5   0.180851D+01 -0.166567D+02  0.935101D+01 -0.887119D+01  0.751964D+01
      6  -0.132822D+01  0.101813D+01 -0.305402D+01 -0.493859D+01 -0.294637D+00
                61            62            63            64            65 
      1  -0.293222D+01  0.248716D+01 -0.967491D+01  0.237805D+02 -0.888571D+00
      2  -0.344635D+01 -0.309400D+01  0.117278D+02 -0.128619D+02 -0.705132D+00
      3   0.637857D+01  0.606839D+00 -0.205289D+01 -0.109186D+02  0.159370D+01
      4   0.593083D+01 -0.982575D+01  0.200223D+01 -0.797810D+01  0.122278D+02
      5  -0.358805D+02  0.126093D+01  0.654889D+01  0.106700D+02 -0.507500D+01
      6  -0.268670D+00 -0.341395D+01  0.113641D+01 -0.424752D+01  0.456931D+01
                66            67            68            69            70 
      1  -0.631321D+01 -0.895172D+01  0.743695D+01 -0.232171D+01 -0.953196D+00
      2  -0.755995D+01  0.800494D+01 -0.111811D+02  0.676577D+00 -0.887363D+01
      3   0.138732D+02  0.946774D+00  0.374410D+01  0.164514D+01  0.982683D+01
      4  -0.391052D+01  0.135557D+02  0.218484D+02  0.812181D+01 -0.415304D+01
      5   0.275553D+02 -0.700996D+01  0.961499D+01 -0.315425D+01  0.329428D+02
      6  -0.405529D+01  0.591554D+01  0.721311D+01  0.542971D+01 -0.339658D+01
                71            72            73            74            75 
      1   0.114401D+01  0.244826D+02 -0.499755D+02 -0.132038D+02  0.128668D+02
      2  -0.262138D+01 -0.925062D+01  0.232584D+02  0.452307D+01  0.459546D+00
      3   0.147738D+01 -0.152319D+02  0.267171D+02  0.868076D+01 -0.133264D+02
      4   0.800270D+01 -0.458235D+01 -0.165831D+02  0.504902D+01 -0.161628D+01
      5  -0.185137D+01  0.657898D+01  0.162463D+02  0.145515D+01  0.141073D+02
      6   0.626302D+01 -0.154037D+01  0.645622D+01 -0.492816D+01  0.346914D+01
                76            77            78            79            80 
      1  -0.148839D+02  0.128140D+02 -0.596048D+01  0.183380D+01 -0.800190D+01
      2   0.916456D+01 -0.228239D+01 -0.130132D+01  0.958832D+01  0.182795D+00
      3   0.571931D+01 -0.105316D+02  0.726181D+01 -0.114221D+02  0.781910D+01
      4   0.283609D+01  0.196949D+02  0.148298D+02 -0.314097D+01  0.134318D+02
      5   0.265034D+01  0.111961D+02 -0.546504D+01  0.245869D+02 -0.288395D+01
      6  -0.122291D+01 -0.929309D+01 -0.124538D+02  0.317622D+01 -0.980345D+01
                81            82            83            84            85 
      1   0.188100D+02  0.875990D+00  0.669521D-01  0.122199D+02  0.308037D+01
      2  -0.133895D+02 -0.261180D+01  0.102974D+00  0.302043D+01 -0.157174D+01
      3  -0.542047D+01  0.173581D+01 -0.169926D+00 -0.152403D+02 -0.150863D+01
      4  -0.456973D+01  0.732736D+00 -0.157429D+01 -0.376233D+00  0.772064D+00
      5  -0.126195D+02  0.172639D+01  0.101979D+01 -0.603568D+01  0.240377D+00
      6   0.807452D+01  0.516915D+00 -0.183620D+01  0.143823D+01 -0.308306D+00
                86            87            88            89            90 
      1  -0.392996D+01 -0.425295D+00  0.930406D+01  0.185204D+01 -0.271835D+02
      2   0.852220D+00 -0.329033D+00 -0.126911D+01 -0.671729D+00 -0.103398D+02
      3   0.307774D+01  0.754328D+00 -0.803496D+01 -0.118031D+01  0.375232D+02
      4  -0.103492D+01  0.280255D+01 -0.177568D+01  0.285817D+01  0.248029D-01
      5   0.199322D+01  0.602440D+00  0.142884D+01 -0.192518D+01  0.231933D+02
      6  -0.758667D+00  0.610451D+01  0.620477D+00  0.441975D+01 -0.456848D+01
                91            92            93            94            95 
      1   0.126580D+01  0.351748D+01  0.112291D+01  0.895190D+00 -0.134062D+02
      2   0.316253D+01 -0.693531D-01  0.166451D+00  0.347949D+01  0.264476D+02
      3  -0.442833D+01 -0.344813D+01 -0.128936D+01 -0.437468D+01 -0.130414D+02
      4   0.806838D+01  0.100708D+02  0.186473D+01  0.109288D+02  0.307147D+02
      5   0.189057D+01  0.184705D+01  0.491494D+01  0.124810D+01  0.494029D+01
      6   0.225325D+01  0.937069D+00  0.399545D+00  0.112302D+01  0.801988D+01
                96            97            98            99           100 
      1  -0.280807D+01  0.711103D+00 -0.270881D+01 -0.260657D+01 -0.294356D+01
      2   0.398743D+01  0.407216D+00  0.280627D+01  0.193884D+01 -0.354784D+00
      3  -0.117936D+01 -0.111832D+01 -0.974623D-01  0.667726D+00  0.329835D+01
      4   0.547988D+01  0.165820D+01  0.551126D+01  0.539362D+01  0.232521D+01
      5   0.635741D+01  0.625242D+01  0.496181D+01  0.343489D+01 -0.343342D-01
      6   0.579083D+01  0.160408D+01  0.776588D+01  0.370266D+01 -0.394147D+01
               101           102           103           104           105 
      1   0.694617D+01 -0.108572D+02  0.652341D+01 -0.121487D+02  0.111216D+02
      2  -0.265155D+01 -0.188131D+00 -0.361940D+01  0.522942D+01  0.141110D+00
      3  -0.429461D+01  0.110453D+02 -0.290402D+01  0.691932D+01 -0.112627D+02
      4  -0.185122D+01  0.116046D+01  0.135692D+01  0.726075D+01 -0.926575D+01
      5  -0.718740D+00 -0.266764D+01 -0.414114D+01 -0.673974D+01  0.935304D+01
      6   0.461052D+01 -0.468941D+01  0.122937D+01 -0.110323D+02  0.133486D+02
               106           107           108           109           110 
      1  -0.593440D+01  0.999118D+01 -0.226765D+02  0.802057D+02  0.926646D+01
      2   0.856387D+00  0.628994D+00 -0.599462D+01 -0.422092D+02 -0.349610D+01
      3   0.507801D+01 -0.106202D+02  0.286711D+02 -0.379965D+02 -0.577037D+01
      4  -0.279984D+00 -0.785972D+01  0.846227D+01  0.159688D+02  0.119237D+02
      5   0.345048D+01  0.687824D+01 -0.159648D+02 -0.320852D+02 -0.385224D+01
      6  -0.153242D+01  0.113284D+02 -0.143760D+02 -0.508405D+01 -0.368796D+01
               111           112           113           114           115 
      1  -0.789172D+01  0.106794D+02  0.707500D+01  0.259103D-01  0.237259D+01
      2   0.779733D+01 -0.418824D+01 -0.261515D+01  0.124855D+01  0.146667D+01
      3   0.943955D-01 -0.649112D+01 -0.445985D+01 -0.127446D+01 -0.383925D+01
      4  -0.202232D+01  0.144979D+02  0.468256D+01 -0.323669D+01  0.128858D+00
      5   0.149396D+02 -0.547421D+01 -0.470039D+01  0.382733D+01  0.931526D+01
      6   0.145484D+01 -0.386785D+01 -0.949797D+00  0.311742D+01  0.104182D+01
               116           117           118           119           120 
      1   0.936401D+00  0.515103D+01  0.445939D+01 -0.316804D+01 -0.435711D+01
      2   0.660012D+00 -0.369383D+01 -0.179229D+01  0.200388D+01  0.619500D+00
      3  -0.159641D+01 -0.145720D+01 -0.266711D+01  0.116416D+01  0.373761D+01
      4  -0.861813D+00  0.276126D+01 -0.256561D+01  0.163828D+01  0.918106D+00
      5   0.223048D+01 -0.230514D+01 -0.316566D+01  0.222986D+01 -0.279206D+00
      6   0.203935D+01 -0.127662D+01  0.234544D+01  0.765697D+00 -0.750164D-01
               121           122           123           124           125 
      1  -0.542142D+01 -0.928143D+01 -0.406929D+01 -0.173840D+01 -0.354008D+01
      2   0.351263D+01  0.827771D+01 -0.175974D+01  0.110468D+01 -0.841165D+00
      3   0.190879D+01  0.100372D+01  0.582902D+01  0.633715D+00  0.438124D+01
      4   0.628335D+01 -0.273756D+02 -0.107417D+02  0.165269D+01 -0.749170D+01
      5   0.735813D+01 -0.919682D+01 -0.112547D+02  0.200457D+01 -0.551841D+01
      6  -0.181818D+01  0.192857D+02  0.112771D+02 -0.124595D+01  0.972439D+01
               126           127           128           129           130 
      1  -0.740000D+01 -0.476399D+01  0.711991D+01  0.736096D+00  0.770604D+01
      2  -0.496622D+00  0.648329D+01 -0.101756D+02 -0.717958D+00 -0.110397D+02
      3   0.789662D+01 -0.171930D+01  0.305567D+01 -0.181381D-01  0.333364D+01
      4  -0.599549D+01 -0.879757D+01  0.853697D+01  0.639291D+00  0.848017D+01
      5  -0.648877D+01  0.198955D+00  0.715711D+00  0.204562D+01  0.836876D+00
      6   0.604511D+01  0.573163D+00 -0.597691D+00 -0.243793D+01 -0.114122D+01
               131           132           133           134           135 
      1  -0.208378D+02 -0.181864D+01  0.121485D+01 -0.178879D+01 -0.662845D+00
      2   0.282979D+02  0.144636D+01 -0.156419D+01  0.216134D+01  0.149563D+01
      3  -0.746006D+01  0.372287D+00  0.349344D+00 -0.372553D+00 -0.832781D+00
      4  -0.874493D+01 -0.358991D+00  0.965336D+00 -0.410576D+00 -0.210253D+01
      5  -0.564371D+00 -0.152955D+01  0.952503D+00 -0.691256D+00 -0.456418D+00
      6   0.252450D+01  0.500239D+01 -0.619061D+00  0.210986D+01  0.925905D+00
               136           137           138           139           140 
      1   0.534146D+01  0.472894D+01  0.522899D+00 -0.128905D+01 -0.169762D+02
      2   0.381143D+01  0.550965D+01  0.215904D+00  0.123345D+02  0.406887D+02
      3  -0.915290D+01 -0.102386D+02 -0.738803D+00 -0.110455D+02 -0.237125D+02
      4   0.187216D+02  0.232445D+02  0.267637D+01  0.244193D+02  0.481264D+02
      5   0.236827D+01  0.265039D+01  0.371371D+01  0.275050D+01  0.493248D+01
      6   0.177208D+01  0.207378D+01  0.243754D+01  0.284842D+01  0.699088D+01
               141           142           143           144           145 
      1  -0.201479D+01 -0.300389D-01 -0.174772D+01 -0.169342D+01  0.994422D+02
      2   0.309432D+01  0.120362D+01  0.376459D+01  0.289103D+01 -0.559215D+02
      3  -0.107953D+01 -0.117358D+01 -0.201687D+01 -0.119762D+01 -0.435207D+02
      4   0.509871D+01  0.314187D+01  0.588111D+01  0.308982D+01  0.156726D+02
      5   0.524027D+01  0.144758D+01  0.233771D+01  0.144923D+01  0.489778D+01
      6   0.774642D+01  0.184435D+01  0.412111D+01  0.202241D+01 -0.972477D+00
               146           147           148           149           150 
      1   0.986007D+01  0.310787D+01  0.838125D+01  0.100486D+02  0.954301D+00
      2  -0.484652D+01 -0.213438D+01 -0.348737D+01 -0.448781D+01 -0.735245D+00
      3  -0.501355D+01 -0.973488D+00 -0.489388D+01 -0.556082D+01 -0.219056D+00
      4   0.100579D+02  0.361864D+00  0.165709D+02  0.515966D+01  0.754099D+00
      5   0.351109D+00  0.107436D+02  0.195618D+01  0.785492D+00  0.138850D+01
      6   0.103481D+00  0.912842D+00  0.424768D+00  0.576763D-03  0.149846D+01
               151           152           153           154           155 
      1   0.359979D+01  0.104246D+01  0.404238D+01  0.226941D+02 -0.142184D+02
      2  -0.204233D+01 -0.563835D+00 -0.245183D+01 -0.404861D+01 -0.945061D+00
      3  -0.155747D+01 -0.478622D+00 -0.159054D+01 -0.186454D+02  0.151634D+02
      4   0.215865D+01  0.793715D+00  0.762758D+00 -0.341069D+02  0.307804D+02
      5   0.353702D+01  0.444689D+00  0.586793D+00 -0.334048D+01  0.233094D+01
      6   0.265140D+00  0.680634D+00  0.204405D+00  0.126140D+01 -0.103077D+01
               156           157           158           159           160 
      1  -0.139138D+01 -0.923351D+01  0.352638D+01  0.433788D+00 -0.496368D+00
      2   0.575394D+00 -0.668682D+01  0.171466D+02  0.407156D+00 -0.638866D+00
      3   0.815985D+00  0.159203D+02 -0.206729D+02 -0.840943D+00  0.113523D+01
      4   0.221823D+01  0.341399D+02 -0.445635D+02 -0.376405D+01  0.334928D+01
      5   0.590976D+01  0.354385D+01 -0.397470D+01 -0.564371D+01  0.241278D+01
      6  -0.326753D+01 -0.217573D+01  0.296908D+01  0.564728D+01 -0.198360D+01
               161           162           163           164           165 
      1   0.875149D-01  0.196765D+00 -0.546566D+01 -0.892230D+01 -0.127664D+01
      2   0.139437D+01  0.122200D+01  0.708480D+01  0.109544D+02  0.917009D+00
      3  -0.148189D+01 -0.141876D+01 -0.161914D+01 -0.203208D+01  0.359632D+00
      4  -0.420130D+01 -0.324923D+01  0.341144D+01  0.735113D+01  0.730501D+00
      5  -0.276259D+01 -0.104157D+01  0.484926D+00  0.605248D+00  0.109899D+01
      6   0.294641D+01  0.111358D+01  0.129918D+01  0.185859D+01  0.209744D+01
               166           167           168           169           170 
      1  -0.712102D+01 -0.343273D+02 -0.411606D+01 -0.123387D+01 -0.438696D+01
      2   0.900996D+01  0.469506D+02  0.395663D+01  0.145012D+01  0.512805D+01
      3  -0.188893D+01 -0.126233D+02  0.159433D+00 -0.216253D+00 -0.741096D+00
      4   0.516268D+01 -0.150226D+01 -0.467592D+00  0.700293D+00 -0.223982D+00
      5   0.668605D+00 -0.623849D+00 -0.548262D-01  0.215630D+00  0.637718D+00
      6   0.135729D+01  0.693505D+01  0.721694D+01  0.680169D+00  0.349295D+01
               171           172           173           174           175 
      1  -0.229354D+01  0.484391D+01 -0.152258D+01  0.254611D+01 -0.302254D+01
      2   0.316632D+01 -0.242331D+01 -0.230158D-01 -0.159669D+01 -0.113189D+01
      3  -0.872779D+00 -0.242060D+01  0.154559D+01 -0.949414D+00  0.415444D+01
      4   0.141277D+01 -0.107998D+01  0.444476D+01  0.778824D+00  0.880545D+01
      5   0.224533D+00  0.284271D+01  0.704574D+00  0.768130D+00 -0.208862D+01
      6   0.177795D+01  0.117810D+01  0.631584D+00  0.100365D+01  0.209944D+01
               176           177           178           179           180 
      1  -0.603460D+01  0.213173D+01 -0.264438D+00  0.116782D+01 -0.239242D+01
      2   0.184536D+02  0.147279D+01 -0.410082D+00  0.210731D+01  0.156533D+01
      3  -0.124190D+02 -0.360452D+01  0.674520D+00 -0.327513D+01  0.827088D+00
      4  -0.307251D+02  0.119297D+01  0.182607D+01 -0.528041D+01 -0.283632D+01
      5   0.742162D+00 -0.573400D+01  0.106288D+01 -0.284380D+01 -0.126489D+01
      6  -0.116177D+02  0.359514D+01 -0.224476D+00  0.202925D+01 -0.346200D+00
 Leave Link  716 at Thu Aug 12 22:01:45 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132795D+03 -0.232081D+00  0.763732D+00
      2  -0.232081D+00  0.106148D+03  0.260455D+01
      3   0.763732D+00  0.260455D+01  0.759912D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.520226D+00  0.308591D+01  0.160297D+01
      2   0.207928D+00  0.778528D+01 -0.183083D+02
      3  -0.466156D+01 -0.342684D+02 -0.772950D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.681992D+02  0.873179D+00 -0.148212D+00
      2  -0.130283D+02  0.693502D-01 -0.562186D+01
      3  -0.551709D+02 -0.942529D+00  0.577008D+01
      4   0.159642D+01  0.722507D+02  0.179113D+02
      5   0.128188D+02  0.181754D+02 -0.455069D+02
      6   0.736801D+01  0.802560D+01 -0.104663D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.236690D+01 -0.660742D+00 -0.219669D+00 -0.499153D+01 -0.114932D+01
      2  -0.660742D+00  0.260035D+01  0.299911D+00 -0.114932D+01 -0.529470D+00
      3  -0.219669D+00  0.299911D+00  0.148692D+01 -0.526778D+00  0.590391D+00
                 6             7             8             9            10 
      1  -0.526778D+00 -0.101670D+01 -0.425384D+00  0.271295D+01  0.541061D+01
      2   0.590391D+00 -0.425384D+00  0.958296D+00 -0.310559D+01  0.234174D+01
      3  -0.174258D+01  0.271295D+01 -0.310559D+01 -0.692977D+00  0.574892D+00
                11            12            13            14            15 
      1   0.234174D+01  0.574892D+00 -0.655033D+01 -0.204224D+00  0.162424D-01
      2  -0.206806D+01  0.183651D-01 -0.204224D+00 -0.119774D+01  0.603939D+00
      3   0.183651D-01 -0.920803D+00  0.162424D-01  0.603939D+00 -0.223814D+01
                16            17            18            19            20 
      1  -0.567560D+00  0.571021D+00 -0.112177D+01 -0.163252D+02 -0.123989D+01
      2   0.571021D+00  0.775711D+00 -0.389941D+01 -0.123989D+01 -0.218256D+01
      3  -0.112177D+01 -0.389941D+01 -0.147691D+01  0.368715D-01 -0.383404D-02
                21            22            23            24            25 
      1   0.368715D-01 -0.260437D+01  0.172473D+01  0.744604D+00 -0.150811D+00
      2  -0.383404D-02  0.172473D+01 -0.683795D+00 -0.105337D+00  0.528802D+00
      3  -0.213075D+01  0.744604D+00 -0.105337D+00  0.175328D+00 -0.374140D+01
                26            27            28            29            30 
      1   0.528802D+00 -0.374140D+01  0.387154D+01 -0.857465D+00  0.354718D+00
      2  -0.312244D+00 -0.290963D+00 -0.857465D+00 -0.291516D+01 -0.274902D+00
      3  -0.290963D+00  0.109117D+00  0.354718D+00 -0.274902D+00 -0.136231D+01
                31            32            33            34            35 
      1   0.770615D+01 -0.837810D-01  0.285948D+00  0.124730D+01  0.871476D-01
      2  -0.837810D-01  0.891227D+00 -0.479434D+00  0.871476D-01 -0.879145D+00
      3   0.285948D+00 -0.479434D+00  0.181068D+01 -0.168715D+01  0.310301D+01
                36            37            38            39            40 
      1  -0.168715D+01 -0.425006D+01 -0.427126D+00 -0.312883D+00  0.506433D+01
      2   0.310301D+01 -0.427126D+00  0.157451D+01 -0.116180D+00 -0.144925D+00
      3   0.538684D+00 -0.312883D+00 -0.116180D+00  0.809963D+00 -0.974411D-01
                41            42            43            44            45 
      1  -0.144925D+00 -0.974411D-01  0.230784D+00 -0.387271D+00  0.186485D+01
      2   0.879153D+00 -0.589874D+00 -0.387271D+00 -0.718553D+00  0.367929D+01
      3  -0.589874D+00  0.205530D+01  0.186485D+01  0.367929D+01  0.127653D+01
                46            47            48            49            50 
      1   0.548266D+01  0.144543D+00 -0.871174D-01  0.392929D+00 -0.181006D+00
      2   0.144543D+00  0.308272D+01  0.395919D-01 -0.181006D+00 -0.653781D-01
      3  -0.871174D-01  0.395919D-01  0.256592D+01 -0.733207D+00 -0.196579D+00
                51            52            53            54            55 
      1  -0.733207D+00 -0.621100D-01 -0.643529D+00  0.526541D+01  0.266123D+01
      2  -0.196579D+00 -0.643529D+00 -0.463937D-01  0.588175D+00 -0.176388D+00
      3   0.289864D+00  0.526541D+01  0.588175D+00  0.489296D+00 -0.115127D+01
                56            57            58            59            60 
      1  -0.176388D+00 -0.115127D+01 -0.338827D+01  0.117669D+01 -0.111207D+01
      2   0.190866D-03 -0.689368D+00  0.117669D+01  0.624058D+01  0.214131D+01
      3  -0.689368D+00  0.300834D+01 -0.111207D+01  0.214131D+01 -0.120875D+01
                61            62            63            64            65 
      1  -0.110620D+01 -0.740044D+00  0.584973D+01 -0.361876D+01  0.129170D+01
      2  -0.740044D+00  0.145938D+01 -0.209445D+00  0.129170D+01 -0.155499D+00
      3   0.584973D+01 -0.209445D+00 -0.178964D+01 -0.106340D+01  0.982977D+00
                66            67            68            69            70 
      1  -0.106340D+01  0.340916D+01 -0.111373D+01  0.628757D+00 -0.224344D+01
      2   0.982977D+00 -0.111373D+01 -0.458315D+01 -0.132063D+01  0.571178D+00
      3  -0.464457D+01  0.628757D+00 -0.132063D+01  0.375296D+00 -0.491102D+01
                71            72            73            74            75 
      1   0.571178D+00 -0.491102D+01  0.815058D+01  0.202451D+01 -0.415863D+00
      2  -0.628024D+00  0.288893D+00  0.202451D+01 -0.875753D+00  0.721690D+00
      3   0.288893D+00  0.203666D+01 -0.415863D+00  0.721690D+00 -0.357110D+01
                76            77            78            79            80 
      1   0.321402D+01 -0.751240D+00  0.518251D+00  0.387206D+01  0.829056D+00
      2  -0.751240D+00 -0.366731D+01 -0.331751D+01  0.829056D+00 -0.275622D+01
      3   0.518251D+00 -0.331751D+01  0.196299D+01 -0.457198D+01  0.130228D+01
                81            82            83            84            85 
      1  -0.457198D+01 -0.525420D-01 -0.162786D+00 -0.772749D+00 -0.807097D+00
      2   0.130228D+01 -0.162786D+00  0.249914D+00 -0.231247D+00 -0.179254D-01
      3   0.745976D+00 -0.772749D+00 -0.231247D+00  0.288991D+01  0.464932D-01
                86            87            88            89            90 
      1  -0.179254D-01  0.464932D-01 -0.141359D+01  0.361759D-01  0.985831D+00
      2   0.138706D+00 -0.858362D+00  0.361759D-01 -0.101371D+01  0.509524D+00
      3  -0.858362D+00 -0.338938D+00  0.985831D+00  0.509524D+00 -0.769414D+01
                91            92            93            94            95 
      1  -0.649104D-01 -0.139682D+01 -0.272565D+00 -0.207912D+01 -0.156722D+01
      2  -0.139682D+01 -0.102735D+01 -0.200528D+00 -0.156722D+01 -0.713791D+01
      3  -0.272565D+00 -0.200528D+00 -0.704501D+00 -0.147075D+00 -0.127090D+01
                96            97            98            99           100 
      1  -0.147075D+00 -0.249330D+00 -0.157537D+00 -0.105615D+01  0.372323D+00
      2  -0.127090D+01 -0.157537D+00 -0.131605D+01 -0.127147D+01 -0.868506D+00
      3  -0.153038D+01 -0.105615D+01 -0.127147D+01 -0.882630D+00  0.913483D+00
               101           102           103           104           105 
      1  -0.868506D+00  0.913483D+00 -0.127546D+01  0.280774D+00 -0.541333D-01
      2   0.838515D+00 -0.732624D+00  0.280774D+00 -0.206040D+01  0.232217D+01
      3  -0.732624D+00  0.219360D+01 -0.541333D-01  0.232217D+01 -0.285605D+01
               106           107           108           109           110 
      1   0.698027D+00 -0.273464D+00  0.609628D+00 -0.128917D+02 -0.160412D+01
      2  -0.273464D+00  0.192491D+01 -0.221912D+01 -0.160412D+01 -0.116075D+01
      3   0.609628D+00 -0.221912D+01  0.531741D+01  0.194864D+01  0.187889D+00
               111           112           113           114           115 
      1   0.194864D+01 -0.219737D+01 -0.157404D+01  0.391287D+00 -0.433243D+00
      2   0.187889D+00 -0.157404D+01 -0.446588D+00  0.562704D+00 -0.795649D-02
      3  -0.153347D+01  0.391287D+00  0.562704D+00 -0.651650D+00 -0.841008D+00
               116           117           118           119           120 
      1  -0.795649D-02 -0.841008D+00 -0.715984D+00  0.725104D+00  0.365628D+00
      2   0.100551D+00 -0.388559D+00  0.725104D+00  0.164430D+00 -0.312463D-01
      3  -0.388559D+00  0.400408D-01  0.365628D+00 -0.312463D-01  0.646623D+00
               121           122           123           124           125 
      1   0.169869D+01 -0.544728D+00 -0.769442D+00  0.353787D+00 -0.260503D+00
      2  -0.544728D+00  0.548704D+01  0.219451D+01 -0.260503D+00  0.156123D+01
      3  -0.769442D+00  0.219451D+01  0.236332D+01  0.696697D-01  0.123928D+01
               126           127           128           129           130 
      1   0.696697D-01 -0.367842D+01  0.237877D+01  0.274700D-01  0.272651D+01
      2   0.123928D+01  0.237877D+01 -0.248419D+01 -0.151649D+00 -0.287186D+01
      3   0.174901D+01  0.274700D-01 -0.151649D+00 -0.467561D+00 -0.289318D+00
               131           132           133           134           135 
      1  -0.287186D+01 -0.289318D+00  0.354447D-01 -0.356519D+00  0.840759D-02
      2   0.587831D+01  0.427950D+00 -0.356519D+00  0.581422D+00  0.163531D+00
      3   0.427950D+00  0.817240D+00  0.840759D-02  0.163531D+00  0.108108D+00
               136           137           138           139           140 
      1   0.228587D+01  0.266518D+01  0.353153D+00  0.231339D+01  0.383816D+01
      2   0.266518D+01  0.279103D+01  0.354093D+00  0.383816D+01  0.970971D+01
      3   0.353153D+00  0.354093D+00  0.396517D+00  0.463478D+00  0.106314D+01
               141           142           143           144           145 
      1   0.463478D+00  0.464478D+00  0.521967D+00  0.201923D+00  0.132556D+02
      2   0.106314D+01  0.521967D+00  0.119429D+01  0.370277D+00  0.143880D+01
      3   0.106642D+01  0.201923D+00  0.370277D+00  0.255791D+00  0.482942D+00
               146           147           148           149           150 
      1   0.143880D+01  0.482942D+00  0.134626D+01  0.176475D+01  0.242348D+00
      2   0.952394D+00  0.379035D-01  0.176475D+01  0.547650D+00  0.838104D-01
      3   0.379035D-01  0.103155D+01  0.242348D+00  0.838104D-01  0.154708D+00
               151           152           153           154           155 
      1   0.476266D+00  0.242894D+00  0.880238D-01  0.517244D+01 -0.399437D+01
      2   0.242894D+00  0.506140D-01  0.420915D-01 -0.399437D+01  0.361075D+01
      3   0.880238D-01  0.420915D-01  0.166643D-01 -0.333225D+00  0.238891D+00
               156           157           158           159           160 
      1  -0.333225D+00 -0.382818D+01  0.450467D+01  0.453271D+00 -0.359974D+00
      2   0.238891D+00  0.450467D+01 -0.668805D+01 -0.591589D+00  0.439361D+00
      3   0.653191D+00  0.453271D+00 -0.591589D+00 -0.876283D+00  0.260592D+00
               161           162           163           164           165 
      1   0.439361D+00  0.260592D+00 -0.156233D+01 -0.179311D+01 -0.251606D+00
      2  -0.766346D+00 -0.243623D+00 -0.179311D+01 -0.214750D+01 -0.289060D+00
      3  -0.243623D+00 -0.111827D+00 -0.251606D+00 -0.289060D+00 -0.265771D+00
               166           167           168           169           170 
      1  -0.161660D+01 -0.192130D+01 -0.259882D+00 -0.101830D+00 -0.351108D+00
      2  -0.192130D+01 -0.891731D+01 -0.987856D+00 -0.351108D+00 -0.113883D+01
      3  -0.259882D+00 -0.987856D+00 -0.101513D+01  0.551874D-01 -0.310928D+00
               171           172           173           174           175 
      1   0.551874D-01 -0.113601D+01  0.170977D+00 -0.177448D+00  0.146688D+01
      2  -0.310928D+00  0.170977D+00 -0.847977D+00 -0.160672D+00 -0.116447D+01
      3  -0.177559D+00 -0.177448D+00 -0.160672D+00 -0.816857D-01  0.198672D+00
               176           177           178           179           180 
      1  -0.116447D+01  0.198672D+00  0.326649D+00 -0.224287D+00 -0.417199D-01
      2   0.620472D+01 -0.271859D+00 -0.224287D+00  0.969105D+00  0.652750D+00
      3  -0.271859D+00  0.138679D+01 -0.417199D-01  0.652750D+00  0.142392D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.728844D+00 -0.368439D+00  0.213537D+01 -0.110549D+01 -0.293181D+00
      2  -0.339008D+00  0.799141D+00  0.257963D+01 -0.492941D+00  0.172060D+01
      3   0.559221D+01 -0.846626D+01 -0.535775D+00  0.861840D+01  0.240513D+01
                 6             7             8             9            10 
      1  -0.156092D+01  0.581434D+01  0.402872D+01  0.644798D+00  0.755923D+00
      2  -0.512045D+01 -0.314454D+01 -0.951874D+01 -0.189062D+01  0.117212D+01
      3  -0.725868D+00  0.713483D+00 -0.139093D+01  0.492772D+01 -0.907453D+01
                11            12            13            14            15 
      1   0.731086D+00 -0.149373D+01  0.347568D+00  0.420426D+00 -0.267204D+01
      2   0.102566D+01 -0.109398D+01  0.144055D+01 -0.772791D-01 -0.168873D+01
      3  -0.552259D+01 -0.145317D+01  0.456053D+01  0.565124D+01 -0.220693D+00
                16            17            18            19            20 
      1  -0.434373D+01  0.128888D+01 -0.307559D+00 -0.113799D+01  0.971989D-02
      2  -0.127745D+02 -0.207979D+01 -0.119997D+01 -0.348184D+01 -0.551704D-01
      3  -0.621907D+00 -0.108240D+01  0.539057D+01  0.411881D+01  0.617176D+01
                21            22            23            24            25 
      1   0.643209D-01 -0.841705D+00 -0.192640D+01  0.146141D+01 -0.626092D+00
      2  -0.159559D+01 -0.717331D+00  0.638751D+00 -0.104198D+01 -0.157012D+02
      3   0.254993D+00  0.171809D+02  0.837999D+00 -0.281780D+00 -0.100633D+01
                26            27            28            29            30 
      1   0.950940D+01  0.155489D+01  0.330069D-01 -0.204793D+00  0.234066D+01
      2  -0.111229D+00 -0.178063D+01  0.569970D+00  0.378607D+00 -0.139895D+01
      3  -0.240669D+00  0.952699D+00 -0.806978D+00 -0.420472D+00  0.274051D+00
                31            32            33            34            35 
      1   0.310937D-01  0.905064D-01 -0.194822D+01  0.658804D+01  0.373186D+01
      2   0.173685D+01  0.107739D+00  0.163962D+01 -0.126244D+02  0.743838D+00
      3  -0.581885D+00 -0.583527D+01  0.242820D+00 -0.912860D+00  0.458316D+00
                36            37            38            39            40 
      1   0.552070D+00 -0.189021D+00  0.770021D+00 -0.195696D+01  0.626920D+00
      2   0.358203D+00 -0.188415D+00  0.110853D+01  0.808781D+00  0.564982D+00
      3  -0.589160D+01  0.393994D+01 -0.140139D+02 -0.136276D+01  0.410249D+01
                41            42            43            44            45 
      1  -0.117592D+00 -0.266489D+01 -0.492449D+01  0.106372D+01 -0.673290D+00
      2  -0.147753D+01  0.459141D+01 -0.740827D+01  0.852243D+01  0.222086D+01
      3   0.781756D-01  0.101657D+01  0.621609D+00  0.152332D+01 -0.469732D+01
                46            47            48            49            50 
      1   0.339822D+00 -0.253682D+00 -0.729921D+00 -0.132349D+00 -0.108927D+01
      2  -0.737139D-01 -0.180684D+00  0.669876D+01 -0.269966D+01 -0.105846D+00
      3  -0.331645D+01 -0.610127D+01  0.107487D+00  0.110745D+02 -0.377033D+01
                51            52            53            54            55 
      1   0.163388D+01 -0.178790D+01  0.108160D+02  0.144482D+01 -0.646957D+00
      2   0.129754D+01  0.692277D+01  0.245687D+01  0.115050D+01  0.555122D+01
      3   0.201986D+00  0.150813D+01  0.540891D-01 -0.128034D+01 -0.386914D+01
                56            57            58            59            60 
      1  -0.323824D+00  0.305933D+00  0.129213D+01  0.203540D+01 -0.276472D+01
      2   0.126860D+01 -0.304606D+01 -0.544618D+00 -0.537468D+01  0.238828D+01
      3   0.420277D+00 -0.628705D+00  0.113416D+02  0.130445D+02  0.614638D+01
                61            62            63            64            65 
      1   0.144126D+01  0.235019D+01 -0.153117D+01 -0.642053D+00  0.289655D+01
      2  -0.158971D+02  0.558163D+00  0.284997D+01 -0.188799D+01 -0.169958D+01
      3   0.938048D+00  0.662106D+01 -0.440279D+01  0.651427D+01 -0.943478D+01
                66            67            68            69            70 
      1   0.114427D+01 -0.462496D+00  0.791033D+01 -0.223512D+01 -0.445613D+00
      2   0.186872D+02  0.105723D+01  0.262505D+01  0.309487D-01  0.747624D+01
      3   0.358311D+01 -0.124748D+01 -0.157444D+02 -0.366948D+01  0.138878D+01
                71            72            73            74            75 
      1   0.528228D+01 -0.283673D+01  0.294742D+01 -0.237799D+01  0.343839D+00
      2   0.595857D+00 -0.118987D+02 -0.119998D+02 -0.459560D+01  0.137664D+02
      3  -0.495360D+01 -0.404424D+00  0.559692D+01 -0.695307D+01  0.108943D+01
                76            77            78            79            80 
      1   0.102542D-01 -0.673543D+01 -0.853879D+01 -0.102419D+01 -0.323302D+01
      2  -0.327768D+01  0.106530D+02 -0.596398D+01  0.797940D+01 -0.450042D+01
      3  -0.701833D+00 -0.120871D+02 -0.106196D+02 -0.688138D+00 -0.102223D+02
                81            82            83            84            85 
      1   0.442462D+01  0.335467D-01 -0.154072D+01 -0.132336D+01 -0.762986D+00
      2   0.418261D+01  0.452404D+01  0.884327D-01 -0.845655D+01 -0.144225D+01
      3   0.611655D+01 -0.806381D+00  0.926726D+00 -0.640859D+00  0.133727D+01
                86            87            88            89            90 
      1  -0.238293D+00  0.133899D+00 -0.779799D+00  0.246722D+01  0.232531D+01
      2   0.180755D+01  0.818386D+00 -0.755033D+01 -0.143501D+01  0.215956D+02
      3   0.711467D+00 -0.134755D+01 -0.543690D+00 -0.161787D+01  0.288647D+01
                91            92            93            94            95 
      1  -0.112398D+00 -0.180731D+00 -0.695672D+00 -0.272206D+00  0.365920D-01
      2   0.292351D+00  0.182939D+00  0.197856D+01 -0.556003D-01  0.264713D+01
      3  -0.385070D+01 -0.221667D+01 -0.220139D+00  0.218843D+01 -0.139066D+02
                96            97            98            99           100 
      1  -0.328351D+01 -0.555427D+00  0.744837D+00 -0.904368D+00 -0.136428D+01
      2   0.292778D+01  0.412539D+00  0.193273D+01  0.158279D+01 -0.457810D+01
      3  -0.290738D+01  0.309589D+00 -0.269094D+01 -0.140150D+01 -0.314388D+01
               101           102           103           104           105 
      1   0.217444D+01 -0.433726D-01  0.114321D+01 -0.317717D+01  0.136158D+01
      2   0.306915D+01 -0.583136D+01  0.299842D+01 -0.654855D+01  0.727649D+01
      3   0.227648D+01 -0.205758D+01  0.308678D+01 -0.478491D+01  0.576886D+01
               106           107           108           109           110 
      1  -0.125667D+00  0.428481D+01 -0.182838D+01 -0.169569D+01 -0.221710D+01
      2  -0.537942D+01  0.630770D+01 -0.139225D+02  0.107941D+02  0.166419D+01
      3  -0.128832D+01  0.470411D+01 -0.608943D+01 -0.101123D+01 -0.587094D+01
               111           112           113           114           115 
      1  -0.654175D+00 -0.186185D+01 -0.990126D-01 -0.258151D+00 -0.834599D-01
      2   0.499660D+01  0.184812D+01  0.637283D-01  0.184641D+01  0.979444D+00
      3   0.539876D-01 -0.267697D+01 -0.722927D+00  0.137006D+01  0.226085D+00
               116           117           118           119           120 
      1   0.840444D+00 -0.622366D+00  0.148337D+01  0.709872D+00 -0.226393D+00
      2   0.864670D+00  0.117584D+01 -0.930459D+00 -0.982645D+00 -0.151083D+01
      3   0.116751D+01 -0.855717D+00  0.265581D+01  0.834307D+00  0.171056D+00
               121           122           123           124           125 
      1   0.698000D-01  0.104534D+02  0.108521D+01 -0.167968D+00  0.402904D+01
      2  -0.128542D+01 -0.596874D+01 -0.512246D+01 -0.181226D+01 -0.274411D+01
      3   0.194595D+01  0.162135D+02  0.588565D+01 -0.204801D+00  0.427087D+01
               126           127           128           129           130 
      1   0.161730D+01  0.652518D+00 -0.422646D+00  0.237796D+01  0.304321D+00
      2  -0.418376D+01  0.116450D+01 -0.400691D+00  0.815744D+00 -0.578902D+00
      3   0.314076D+01 -0.105891D+02  0.433532D+01 -0.174570D+00  0.742966D+01
               131           132           133           134           135 
      1   0.141160D+00 -0.309128D+01  0.102713D-01  0.172313D+01  0.177694D-01
      2   0.605634D+00 -0.136267D+01 -0.190768D+01  0.282711D+00 -0.182558D+00
      3  -0.578210D+01 -0.905379D+00 -0.882331D+00 -0.845414D+00 -0.199908D+00
               136           137           138           139           140 
      1  -0.733826D-01 -0.450643D-02 -0.163011D+01 -0.447329D-01  0.376660D+00
      2   0.848568D-01  0.258221D+00  0.145081D+01  0.248830D+00  0.144721D+01
      3  -0.587921D+00 -0.212579D+01 -0.186340D+00 -0.145918D+01 -0.140588D+02
               141           142           143           144           145 
      1  -0.440619D+01  0.503901D+00  0.155404D+01 -0.364184D+00 -0.523716D-01
      2   0.300525D+01 -0.495658D+00 -0.297126D-01  0.494518D+00  0.567067D+00
      3  -0.139468D+01 -0.336731D+00 -0.164409D+01 -0.391549D+00 -0.937334D+00
               146           147           148           149           150 
      1   0.180294D+00 -0.677889D+00  0.118331D-01  0.113432D-01 -0.378737D+00
      2  -0.679393D-02  0.623988D+01  0.881598D+00  0.205030D+00  0.900253D+00
      3  -0.529742D+01  0.541928D-01 -0.408179D+01 -0.172896D+01 -0.242325D+00
               151           152           153           154           155 
      1   0.451709D+00  0.577941D+00 -0.452241D-02  0.118883D+00 -0.363624D+00
      2  -0.256839D+01 -0.193769D+00  0.686273D-01 -0.351024D-01 -0.404248D-01
      3  -0.596004D+00 -0.329556D+00 -0.183982D-01  0.167175D+01 -0.465515D+01
               156           157           158           159           160 
      1   0.229076D+01  0.215396D+00  0.215672D-01 -0.324457D+01 -0.680492D+00
      2   0.296310D+01  0.590163D+00 -0.893966D+00 -0.342895D+01 -0.718418D+00
      3  -0.105119D+00 -0.367108D+01  0.111312D+02  0.802242D+00 -0.701943D+00
               161           162           163           164           165 
      1   0.133372D+01 -0.132591D+00  0.126747D+00  0.248494D-01 -0.152579D+01
      2   0.312329D+00 -0.273657D+00 -0.804881D+00 -0.658008D+00  0.175476D+00
      3   0.127815D+01  0.127779D+00  0.621551D+01  0.415730D+01  0.582904D+00
               166           167           168           169           170 
      1   0.341749D-02  0.478531D+00 -0.419595D+01  0.478583D+00  0.172948D+01
      2  -0.693134D+00 -0.125071D+01  0.381250D+00 -0.161006D+01 -0.258953D+00
      3   0.704282D+01  0.910647D+01  0.124091D+01  0.107660D+01  0.138649D+01
               171           172           173           174           175 
      1  -0.332227D+00  0.151746D+00  0.761224D+00 -0.457316D-01  0.104470D+01
      2  -0.204016D-01 -0.177907D-01  0.783087D-01 -0.232910D+00  0.420776D+00
      3   0.390568D-02  0.179266D+01 -0.111303D+01 -0.111386D+00  0.912027D+00
               176           177           178           179           180 
      1  -0.960169D+01 -0.242760D+01  0.152523D+00 -0.105352D+01 -0.173898D+01
      2  -0.824139D+00 -0.337441D+01 -0.579292D+00 -0.159571D+01 -0.708595D+00
      3   0.191318D+02  0.211060D-01  0.100072D+01  0.355386D+01  0.208652D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.345328D+01  0.245601D+02  0.280710D+01 -0.267403D+02  0.570889D+01
      2  -0.549682D+00 -0.162851D+02 -0.378001D+00  0.260522D+02 -0.102737D+02
      3   0.400296D+01 -0.827503D+01 -0.242910D+01  0.688086D+00  0.456485D+01
      4   0.160455D+02  0.105829D+01  0.562313D+00 -0.648753D+00  0.110610D+02
      5   0.552913D+00  0.439295D+00  0.508287D+01 -0.317191D+01  0.442977D+01
      6   0.583768D-01 -0.125457D+01 -0.551885D+01  0.385279D+01 -0.365227D+01
                 6             7             8             9            10 
      1   0.415873D+00 -0.395222D+01  0.199548D+01  0.167798D+01  0.147287D+02
      2  -0.660241D+00  0.531596D+01 -0.414244D+01 -0.801627D+01 -0.101135D+02
      3   0.244368D+00 -0.136374D+01  0.214696D+01  0.633829D+01 -0.461521D+01
      4   0.456581D+01 -0.190662D+01  0.509292D+01 -0.149557D+02 -0.652209D+01
      5  -0.108085D+02  0.187472D+02 -0.153392D+02 -0.413134D+01 -0.304181D+00
      6   0.337276D+01 -0.767137D+01  0.116165D+02 -0.538455D+00 -0.616485D+00
                11            12            13            14            15 
      1  -0.116572D+02 -0.481627D+00 -0.764962D+00  0.112916D+02  0.275949D+01
      2   0.933542D+01  0.785054D-02 -0.905041D+01 -0.173165D+02 -0.436626D+01
      3   0.232178D+01  0.473776D+00  0.981537D+01  0.602488D+01  0.160676D+01
      4  -0.163316D+02 -0.151369D+01  0.102986D+02 -0.136995D+02 -0.730863D+00
      5  -0.134280D+01 -0.361361D+01  0.287242D+00 -0.994792D+00 -0.134095D+01
      6  -0.309207D+00  0.337620D+01 -0.268392D+01 -0.590134D+01  0.589263D+01
                16            17            18            19            20 
      1   0.115110D+01  0.236935D+01 -0.152418D+02 -0.194885D+02 -0.381311D+01
      2  -0.281220D+01 -0.601802D+01  0.231257D+01  0.489749D+01  0.245064D+01
      3   0.166110D+01  0.364867D+01  0.129292D+02  0.145910D+02  0.136246D+01
      4  -0.518166D+00 -0.119694D+01 -0.659212D+01 -0.241023D+01  0.211778D+01
      5   0.574389D+01 -0.497100D+01 -0.185303D+01 -0.268690D+01 -0.679827D+00
      6   0.192685D+01  0.159796D+02  0.237710D+01 -0.175095D+01  0.407911D+00
                21            22            23            24            25 
      1  -0.121890D+01  0.292389D+01 -0.138909D+02 -0.819943D+00 -0.217706D+01
      2  -0.149925D+00 -0.647812D+01  0.200385D+02  0.396269D+01 -0.682028D+00
      3   0.136882D+01  0.355423D+01 -0.614762D+01 -0.314275D+01  0.285909D+01
      4  -0.378982D+00 -0.146081D+02 -0.167046D+01  0.166930D+00 -0.287419D+01
      5   0.249152D+01 -0.329147D+01 -0.113934D+00 -0.133726D+01  0.514305D+01
      6   0.202805D+01 -0.238333D+01  0.342400D+01 -0.355210D+01  0.238634D+01
                26            27            28            29            30 
      1  -0.189287D+01 -0.671596D+01 -0.322079D+01  0.168070D+02  0.196896D+01
      2   0.298940D+01 -0.518824D+01  0.225627D+01 -0.125873D+02  0.512153D+00
      3  -0.109653D+01  0.119042D+02  0.964517D+00 -0.421972D+01 -0.248112D+01
      4   0.103078D+01 -0.702588D-01  0.143157D+02 -0.104435D+02 -0.309803D+00
      5  -0.102181D+00 -0.187512D+01 -0.201941D+00 -0.537326D+00 -0.309601D+01
      6   0.365444D+01 -0.118905D+01  0.123633D+01 -0.859997D+00 -0.538169D+01
                31            32            33            34            35 
      1  -0.651188D+01  0.605973D+01  0.220664D+01 -0.182980D+01  0.333916D+01
      2   0.170458D+02 -0.948598D+01 -0.167341D+01  0.464251D+01 -0.436685D+01
      3  -0.105339D+02  0.342624D+01 -0.533228D+00 -0.281272D+01  0.102769D+01
      4   0.619440D+01  0.151310D+02  0.162267D+01  0.168676D+01  0.804242D+00
      5   0.683201D+00  0.179154D+01 -0.286151D+00  0.161588D+01  0.133715D+01
      6   0.485760D+01 -0.312568D+01  0.450016D+01 -0.615739D+01  0.115580D+02
                36            37            38            39            40 
      1  -0.146875D+02  0.123689D+02 -0.217863D+02 -0.182733D+01  0.190878D+02
      2   0.190195D+01 -0.132796D+02  0.147177D+02  0.185080D+00 -0.174406D+02
      3   0.127855D+02  0.910675D+00  0.706868D+01  0.164225D+01 -0.164725D+01
      4   0.321465D+01 -0.180947D+02 -0.649519D+01 -0.189956D+01  0.105467D+02
      5  -0.637314D+00 -0.146758D+01 -0.154556D+01  0.252878D+00 -0.499028D+00
      6  -0.891876D+00 -0.276453D+01 -0.229813D+00  0.400959D+01 -0.243741D+01
                41            42            43            44            45 
      1   0.129380D+02  0.210585D+01  0.204637D+01  0.492066D+00 -0.524409D+01
      2  -0.191184D+02 -0.357552D+01 -0.386373D+01 -0.488482D+01 -0.296560D+01
      3   0.618041D+01  0.146967D+01  0.181736D+01  0.439276D+01  0.820970D+01
      4  -0.623707D+01 -0.337429D+01 -0.181978D+01 -0.520724D+01  0.139972D+02
      5  -0.329068D+01  0.949611D+01  0.118695D+02  0.145213D+02  0.471511D+01
      6  -0.598411D+01  0.555597D+01  0.673211D+01  0.151156D+02  0.212633D+01
                46            47            48            49            50 
      1  -0.150136D+02 -0.435449D+01 -0.225672D+01  0.108037D+02 -0.237678D+02
      2   0.106915D+02  0.303348D+01  0.107318D+01 -0.104071D+02  0.213596D+02
      3   0.432208D+01  0.132101D+01  0.118354D+01 -0.396638D+00  0.240815D+01
      4  -0.231950D+01  0.206374D+02  0.439170D+00 -0.199990D+02 -0.232451D+01
      5  -0.269779D+01  0.198414D+00  0.147159D+02 -0.589808D+01 -0.135556D+01
      6   0.865715D+00  0.104639D+00  0.178052D+01 -0.185162D+01  0.249529D+01
                51            52            53            54            55 
      1  -0.428251D+01 -0.120080D+01 -0.457387D+01  0.134515D+02  0.113777D+02
      2   0.491874D+01 -0.942141D+00  0.364472D+01 -0.170954D+02 -0.400939D+01
      3  -0.636229D+00  0.214294D+01  0.929149D+00  0.364393D+01 -0.736834D+01
      4  -0.167755D+01 -0.673040D+01 -0.847271D+00  0.383236D+01  0.496379D+01
      5   0.282417D+01  0.359459D+02  0.404678D+01  0.266999D+01  0.486897D+01
      6  -0.280454D+01  0.258986D+01  0.451967D+01 -0.217483D+01 -0.438692D+00
                56            57            58            59            60 
      1   0.352260D+00  0.991453D+00  0.140139D+02  0.693665D+01  0.474524D+01
      2  -0.691726D+00 -0.333393D+01 -0.138122D+02 -0.154512D+02 -0.743884D+01
      3   0.339466D+00  0.234247D+01 -0.201709D+00  0.851459D+01  0.269360D+01
      4  -0.629554D+01  0.228208D+01 -0.679833D+01 -0.260337D+02 -0.102540D+02
      5   0.180851D+01 -0.166567D+02  0.935101D+01 -0.887119D+01  0.751964D+01
      6  -0.132822D+01  0.101813D+01 -0.305402D+01 -0.493859D+01 -0.294637D+00
                61            62            63            64            65 
      1  -0.293222D+01  0.248716D+01 -0.967491D+01  0.237805D+02 -0.888571D+00
      2  -0.344635D+01 -0.309400D+01  0.117278D+02 -0.128619D+02 -0.705132D+00
      3   0.637857D+01  0.606839D+00 -0.205289D+01 -0.109186D+02  0.159370D+01
      4   0.593083D+01 -0.982575D+01  0.200223D+01 -0.797810D+01  0.122278D+02
      5  -0.358805D+02  0.126093D+01  0.654889D+01  0.106700D+02 -0.507500D+01
      6  -0.268670D+00 -0.341395D+01  0.113641D+01 -0.424752D+01  0.456931D+01
                66            67            68            69            70 
      1  -0.631321D+01 -0.895172D+01  0.743695D+01 -0.232171D+01 -0.953196D+00
      2  -0.755995D+01  0.800494D+01 -0.111811D+02  0.676577D+00 -0.887363D+01
      3   0.138732D+02  0.946774D+00  0.374410D+01  0.164514D+01  0.982683D+01
      4  -0.391052D+01  0.135557D+02  0.218484D+02  0.812181D+01 -0.415304D+01
      5   0.275553D+02 -0.700996D+01  0.961499D+01 -0.315425D+01  0.329428D+02
      6  -0.405529D+01  0.591554D+01  0.721311D+01  0.542971D+01 -0.339658D+01
                71            72            73            74            75 
      1   0.114401D+01  0.244826D+02 -0.499755D+02 -0.132038D+02  0.128668D+02
      2  -0.262138D+01 -0.925062D+01  0.232584D+02  0.452307D+01  0.459546D+00
      3   0.147738D+01 -0.152319D+02  0.267171D+02  0.868076D+01 -0.133264D+02
      4   0.800270D+01 -0.458235D+01 -0.165831D+02  0.504902D+01 -0.161628D+01
      5  -0.185137D+01  0.657898D+01  0.162463D+02  0.145515D+01  0.141073D+02
      6   0.626302D+01 -0.154037D+01  0.645622D+01 -0.492816D+01  0.346914D+01
                76            77            78            79            80 
      1  -0.148839D+02  0.128140D+02 -0.596048D+01  0.183380D+01 -0.800190D+01
      2   0.916456D+01 -0.228239D+01 -0.130132D+01  0.958832D+01  0.182795D+00
      3   0.571931D+01 -0.105316D+02  0.726181D+01 -0.114221D+02  0.781910D+01
      4   0.283609D+01  0.196949D+02  0.148298D+02 -0.314097D+01  0.134318D+02
      5   0.265034D+01  0.111961D+02 -0.546504D+01  0.245869D+02 -0.288395D+01
      6  -0.122291D+01 -0.929309D+01 -0.124538D+02  0.317622D+01 -0.980345D+01
                81            82            83            84            85 
      1   0.188100D+02  0.875990D+00  0.669521D-01  0.122199D+02  0.308037D+01
      2  -0.133895D+02 -0.261180D+01  0.102974D+00  0.302043D+01 -0.157174D+01
      3  -0.542047D+01  0.173581D+01 -0.169926D+00 -0.152403D+02 -0.150863D+01
      4  -0.456973D+01  0.732736D+00 -0.157429D+01 -0.376233D+00  0.772064D+00
      5  -0.126195D+02  0.172639D+01  0.101979D+01 -0.603568D+01  0.240377D+00
      6   0.807452D+01  0.516915D+00 -0.183620D+01  0.143823D+01 -0.308306D+00
                86            87            88            89            90 
      1  -0.392996D+01 -0.425295D+00  0.930406D+01  0.185204D+01 -0.271835D+02
      2   0.852220D+00 -0.329033D+00 -0.126911D+01 -0.671729D+00 -0.103398D+02
      3   0.307774D+01  0.754328D+00 -0.803496D+01 -0.118031D+01  0.375232D+02
      4  -0.103492D+01  0.280255D+01 -0.177568D+01  0.285817D+01  0.248029D-01
      5   0.199322D+01  0.602440D+00  0.142884D+01 -0.192518D+01  0.231933D+02
      6  -0.758667D+00  0.610451D+01  0.620477D+00  0.441975D+01 -0.456848D+01
                91            92            93            94            95 
      1   0.126580D+01  0.351748D+01  0.112291D+01  0.895190D+00 -0.134062D+02
      2   0.316253D+01 -0.693531D-01  0.166451D+00  0.347949D+01  0.264476D+02
      3  -0.442833D+01 -0.344813D+01 -0.128936D+01 -0.437468D+01 -0.130414D+02
      4   0.806838D+01  0.100708D+02  0.186473D+01  0.109288D+02  0.307147D+02
      5   0.189057D+01  0.184705D+01  0.491494D+01  0.124810D+01  0.494029D+01
      6   0.225325D+01  0.937069D+00  0.399545D+00  0.112302D+01  0.801988D+01
                96            97            98            99           100 
      1  -0.280807D+01  0.711103D+00 -0.270881D+01 -0.260657D+01 -0.294356D+01
      2   0.398743D+01  0.407216D+00  0.280627D+01  0.193884D+01 -0.354784D+00
      3  -0.117936D+01 -0.111832D+01 -0.974623D-01  0.667726D+00  0.329835D+01
      4   0.547988D+01  0.165820D+01  0.551126D+01  0.539362D+01  0.232521D+01
      5   0.635741D+01  0.625242D+01  0.496181D+01  0.343489D+01 -0.343342D-01
      6   0.579083D+01  0.160408D+01  0.776588D+01  0.370266D+01 -0.394147D+01
               101           102           103           104           105 
      1   0.694617D+01 -0.108572D+02  0.652341D+01 -0.121487D+02  0.111216D+02
      2  -0.265155D+01 -0.188131D+00 -0.361940D+01  0.522942D+01  0.141110D+00
      3  -0.429461D+01  0.110453D+02 -0.290402D+01  0.691932D+01 -0.112627D+02
      4  -0.185122D+01  0.116046D+01  0.135692D+01  0.726075D+01 -0.926575D+01
      5  -0.718740D+00 -0.266764D+01 -0.414114D+01 -0.673974D+01  0.935304D+01
      6   0.461052D+01 -0.468941D+01  0.122937D+01 -0.110323D+02  0.133486D+02
               106           107           108           109           110 
      1  -0.593440D+01  0.999118D+01 -0.226765D+02  0.802057D+02  0.926646D+01
      2   0.856387D+00  0.628994D+00 -0.599462D+01 -0.422092D+02 -0.349610D+01
      3   0.507801D+01 -0.106202D+02  0.286711D+02 -0.379965D+02 -0.577037D+01
      4  -0.279984D+00 -0.785972D+01  0.846227D+01  0.159688D+02  0.119237D+02
      5   0.345048D+01  0.687824D+01 -0.159648D+02 -0.320852D+02 -0.385224D+01
      6  -0.153242D+01  0.113284D+02 -0.143760D+02 -0.508405D+01 -0.368796D+01
               111           112           113           114           115 
      1  -0.789172D+01  0.106794D+02  0.707500D+01  0.259103D-01  0.237259D+01
      2   0.779733D+01 -0.418824D+01 -0.261515D+01  0.124855D+01  0.146667D+01
      3   0.943955D-01 -0.649112D+01 -0.445985D+01 -0.127446D+01 -0.383925D+01
      4  -0.202232D+01  0.144979D+02  0.468256D+01 -0.323669D+01  0.128858D+00
      5   0.149396D+02 -0.547421D+01 -0.470039D+01  0.382733D+01  0.931526D+01
      6   0.145484D+01 -0.386785D+01 -0.949797D+00  0.311742D+01  0.104182D+01
               116           117           118           119           120 
      1   0.936401D+00  0.515103D+01  0.445939D+01 -0.316804D+01 -0.435711D+01
      2   0.660012D+00 -0.369383D+01 -0.179229D+01  0.200388D+01  0.619500D+00
      3  -0.159641D+01 -0.145720D+01 -0.266711D+01  0.116416D+01  0.373761D+01
      4  -0.861813D+00  0.276126D+01 -0.256561D+01  0.163828D+01  0.918106D+00
      5   0.223048D+01 -0.230514D+01 -0.316566D+01  0.222986D+01 -0.279206D+00
      6   0.203935D+01 -0.127662D+01  0.234544D+01  0.765697D+00 -0.750164D-01
               121           122           123           124           125 
      1  -0.542142D+01 -0.928143D+01 -0.406929D+01 -0.173840D+01 -0.354008D+01
      2   0.351263D+01  0.827771D+01 -0.175974D+01  0.110468D+01 -0.841165D+00
      3   0.190879D+01  0.100372D+01  0.582902D+01  0.633715D+00  0.438124D+01
      4   0.628335D+01 -0.273756D+02 -0.107417D+02  0.165269D+01 -0.749170D+01
      5   0.735813D+01 -0.919682D+01 -0.112547D+02  0.200457D+01 -0.551841D+01
      6  -0.181818D+01  0.192857D+02  0.112771D+02 -0.124595D+01  0.972439D+01
               126           127           128           129           130 
      1  -0.740000D+01 -0.476399D+01  0.711991D+01  0.736096D+00  0.770604D+01
      2  -0.496622D+00  0.648329D+01 -0.101756D+02 -0.717958D+00 -0.110397D+02
      3   0.789662D+01 -0.171930D+01  0.305567D+01 -0.181381D-01  0.333364D+01
      4  -0.599549D+01 -0.879757D+01  0.853697D+01  0.639291D+00  0.848017D+01
      5  -0.648877D+01  0.198955D+00  0.715711D+00  0.204562D+01  0.836876D+00
      6   0.604511D+01  0.573163D+00 -0.597691D+00 -0.243793D+01 -0.114122D+01
               131           132           133           134           135 
      1  -0.208378D+02 -0.181864D+01  0.121485D+01 -0.178879D+01 -0.662845D+00
      2   0.282979D+02  0.144636D+01 -0.156419D+01  0.216134D+01  0.149563D+01
      3  -0.746006D+01  0.372287D+00  0.349344D+00 -0.372553D+00 -0.832781D+00
      4  -0.874493D+01 -0.358991D+00  0.965336D+00 -0.410576D+00 -0.210253D+01
      5  -0.564371D+00 -0.152955D+01  0.952503D+00 -0.691256D+00 -0.456418D+00
      6   0.252450D+01  0.500239D+01 -0.619061D+00  0.210986D+01  0.925905D+00
               136           137           138           139           140 
      1   0.534146D+01  0.472894D+01  0.522899D+00 -0.128905D+01 -0.169762D+02
      2   0.381143D+01  0.550965D+01  0.215904D+00  0.123345D+02  0.406887D+02
      3  -0.915290D+01 -0.102386D+02 -0.738803D+00 -0.110455D+02 -0.237125D+02
      4   0.187216D+02  0.232445D+02  0.267637D+01  0.244193D+02  0.481264D+02
      5   0.236827D+01  0.265039D+01  0.371371D+01  0.275050D+01  0.493248D+01
      6   0.177208D+01  0.207378D+01  0.243754D+01  0.284842D+01  0.699088D+01
               141           142           143           144           145 
      1  -0.201479D+01 -0.300389D-01 -0.174772D+01 -0.169342D+01  0.994422D+02
      2   0.309432D+01  0.120362D+01  0.376459D+01  0.289103D+01 -0.559215D+02
      3  -0.107953D+01 -0.117358D+01 -0.201687D+01 -0.119762D+01 -0.435207D+02
      4   0.509871D+01  0.314187D+01  0.588111D+01  0.308982D+01  0.156726D+02
      5   0.524027D+01  0.144758D+01  0.233771D+01  0.144923D+01  0.489778D+01
      6   0.774642D+01  0.184435D+01  0.412111D+01  0.202241D+01 -0.972477D+00
               146           147           148           149           150 
      1   0.986007D+01  0.310787D+01  0.838125D+01  0.100486D+02  0.954301D+00
      2  -0.484652D+01 -0.213438D+01 -0.348737D+01 -0.448781D+01 -0.735245D+00
      3  -0.501355D+01 -0.973488D+00 -0.489388D+01 -0.556082D+01 -0.219056D+00
      4   0.100579D+02  0.361864D+00  0.165709D+02  0.515966D+01  0.754099D+00
      5   0.351109D+00  0.107436D+02  0.195618D+01  0.785492D+00  0.138850D+01
      6   0.103481D+00  0.912842D+00  0.424768D+00  0.576763D-03  0.149846D+01
               151           152           153           154           155 
      1   0.359979D+01  0.104246D+01  0.404238D+01  0.226941D+02 -0.142184D+02
      2  -0.204233D+01 -0.563835D+00 -0.245183D+01 -0.404861D+01 -0.945061D+00
      3  -0.155747D+01 -0.478622D+00 -0.159054D+01 -0.186454D+02  0.151634D+02
      4   0.215865D+01  0.793715D+00  0.762758D+00 -0.341069D+02  0.307804D+02
      5   0.353702D+01  0.444689D+00  0.586793D+00 -0.334048D+01  0.233094D+01
      6   0.265140D+00  0.680634D+00  0.204405D+00  0.126140D+01 -0.103077D+01
               156           157           158           159           160 
      1  -0.139138D+01 -0.923351D+01  0.352638D+01  0.433788D+00 -0.496368D+00
      2   0.575394D+00 -0.668682D+01  0.171466D+02  0.407156D+00 -0.638866D+00
      3   0.815985D+00  0.159203D+02 -0.206729D+02 -0.840943D+00  0.113523D+01
      4   0.221823D+01  0.341399D+02 -0.445635D+02 -0.376405D+01  0.334928D+01
      5   0.590976D+01  0.354385D+01 -0.397470D+01 -0.564371D+01  0.241278D+01
      6  -0.326753D+01 -0.217573D+01  0.296908D+01  0.564728D+01 -0.198360D+01
               161           162           163           164           165 
      1   0.875149D-01  0.196765D+00 -0.546566D+01 -0.892230D+01 -0.127664D+01
      2   0.139437D+01  0.122200D+01  0.708480D+01  0.109544D+02  0.917009D+00
      3  -0.148189D+01 -0.141876D+01 -0.161914D+01 -0.203208D+01  0.359632D+00
      4  -0.420130D+01 -0.324923D+01  0.341144D+01  0.735113D+01  0.730501D+00
      5  -0.276259D+01 -0.104157D+01  0.484926D+00  0.605248D+00  0.109899D+01
      6   0.294641D+01  0.111358D+01  0.129918D+01  0.185859D+01  0.209744D+01
               166           167           168           169           170 
      1  -0.712102D+01 -0.343273D+02 -0.411606D+01 -0.123387D+01 -0.438696D+01
      2   0.900996D+01  0.469506D+02  0.395663D+01  0.145012D+01  0.512805D+01
      3  -0.188893D+01 -0.126233D+02  0.159433D+00 -0.216253D+00 -0.741096D+00
      4   0.516268D+01 -0.150226D+01 -0.467592D+00  0.700293D+00 -0.223982D+00
      5   0.668605D+00 -0.623849D+00 -0.548262D-01  0.215630D+00  0.637718D+00
      6   0.135729D+01  0.693505D+01  0.721694D+01  0.680169D+00  0.349295D+01
               171           172           173           174           175 
      1  -0.229354D+01  0.484391D+01 -0.152258D+01  0.254611D+01 -0.302254D+01
      2   0.316632D+01 -0.242331D+01 -0.230158D-01 -0.159669D+01 -0.113189D+01
      3  -0.872779D+00 -0.242060D+01  0.154559D+01 -0.949414D+00  0.415444D+01
      4   0.141277D+01 -0.107998D+01  0.444476D+01  0.778824D+00  0.880545D+01
      5   0.224533D+00  0.284271D+01  0.704574D+00  0.768130D+00 -0.208862D+01
      6   0.177795D+01  0.117810D+01  0.631584D+00  0.100365D+01  0.209944D+01
               176           177           178           179           180 
      1  -0.603460D+01  0.213173D+01 -0.264438D+00  0.116782D+01 -0.239242D+01
      2   0.184536D+02  0.147279D+01 -0.410082D+00  0.210731D+01  0.156533D+01
      3  -0.124190D+02 -0.360452D+01  0.674520D+00 -0.327513D+01  0.827088D+00
      4  -0.307251D+02  0.119297D+01  0.182607D+01 -0.528041D+01 -0.283632D+01
      5   0.742162D+00 -0.573400D+01  0.106288D+01 -0.284380D+01 -0.126489D+01
      6  -0.116177D+02  0.359514D+01 -0.224476D+00  0.202925D+01 -0.346200D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.390801D+00      0.993318D+00      0.331335D+01
   x          0.360882D+00      0.917270D+00      0.305968D+01
   y          0.147143D+00      0.374000D+00      0.124753D+01
   z          0.289654D-01      0.736228D-01      0.245579D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993223D+02      0.147180D+02      0.163760D+02
   aniso      0.479397D+02      0.710394D+01      0.790420D+01
   xx         0.125906D+03      0.186573D+02      0.207590D+02
   yx        -0.533706D+00     -0.790871D-01     -0.879962D-01
   yy         0.101148D+03      0.149886D+02      0.166770D+02
   zx         0.422352D+00      0.625861D-01      0.696364D-01
   zy         0.265997D+01      0.394167D+00      0.438570D+00
   zz         0.709135D+02      0.105083D+02      0.116920D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104978D+03      0.155561D+02      0.173085D+02
   aniso      0.494501D+02      0.732775D+01      0.815322D+01
   xx         0.132795D+03      0.196781D+02      0.218949D+02
   yx        -0.232081D+00     -0.343909D-01     -0.382650D-01
   yy         0.106148D+03      0.157294D+02      0.175014D+02
   zx         0.763732D+00      0.113173D+00      0.125922D+00
   zy         0.260455D+01      0.385955D+00      0.429433D+00
   zz         0.759912D+02      0.112607D+02      0.125293D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.65449704         -2.97307924          2.90914220
     6          1.34761485         -2.39847818          0.36234366
     6          0.17708052         -0.16648001         -0.39438172
     6         -0.68420525          1.48842862          1.46956773
     6         -0.38526242          0.92692898          4.01368158
     6          0.78751187         -1.31047979          4.74431314
     6         -0.16572984          0.42570219         -3.18565930
     7          0.83987739          2.88108287         -3.98797758
     6         -2.93996066          0.25136088         -3.96403369
     1          2.63133418          3.11106598         -3.34898154
     1          0.88121588         -1.00928186         -4.24276135
     1         -3.71483254         -1.60132798         -3.50444705
     1         -3.12991415          0.58103997         -5.98901162
     1         -4.06529182          1.66701872         -2.96561715
     1         -1.59500067          3.24169522          0.93110753
     1         -1.06735647          2.23461291          5.43188537
     1          1.02573192         -1.74753345          6.72804857
     1          2.57595635         -4.71597170          3.45629751
     1          2.03153597         -3.70193384         -1.06243110
     1         -0.20178215          4.30960981         -3.24808267

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.390801D+00      0.993318D+00      0.331335D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.390801D+00      0.993318D+00      0.331335D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993223D+02      0.147180D+02      0.163760D+02
   aniso      0.479397D+02      0.710394D+01      0.790420D+01
   xx         0.779180D+02      0.115463D+02      0.128469D+02
   yx        -0.140298D+02     -0.207899D+01     -0.231319D+01
   yy         0.981200D+02      0.145399D+02      0.161778D+02
   zx         0.555704D+01      0.823468D+00      0.916232D+00
   zy        -0.728247D+01     -0.107915D+01     -0.120072D+01
   zz         0.121929D+03      0.180680D+02      0.201034D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104978D+03      0.155561D+02      0.173085D+02
   aniso      0.494501D+02      0.732775D+01      0.815322D+01
   xx         0.828612D+02      0.122788D+02      0.136620D+02
   yx        -0.139299D+02     -0.206420D+01     -0.229673D+01
   yy         0.103279D+03      0.153043D+02      0.170284D+02
   zx         0.557921D+01      0.826754D+00      0.919888D+00
   zy        -0.776695D+01     -0.115094D+01     -0.128060D+01
   zz         0.128794D+03      0.190852D+02      0.212352D+02

 ----------------------------------------------------------------------
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 NOBODY LOSES ALL THE TIME
 I HAD AN UNCLE NAMED
 SOL WHO WAS A BORN FAILURE AND
 NEARLY EVERYBODY SAID HE SHOULD HAVE GONE
 INTO VAUDEVILLE PERHAPS BECAUSE MY UNCLE SOL COULD
 SING MCCANN HE WAS A DIVER ON XMAS EVE LIKE HELL ITSELF WHICH
 MAY OR MAY NOT ACCOUNT FOR THE FACT THAT MY UNCLE
 SOL INDULGED IN THAT POSSIBLY MOST INEXCUSABLE
 OF ALL TO USE A HIGHFALOOTIN PHRASE
 LUXURIES THAT IS OR TO
 WIT FARMING AND BE
 IT NEEDLESSLY
 ADDED
 MY UNCLE SOL'S FARM     
 FAILED BECAUSE THE CHICKENS
 ATE THE VEGETABLES SO
 MY UNCLE SOL HAD A
 CHICKEN FARM TILL THE
 SKUNKS ATE THE CHICKENS WHEN 
 MY UNCLE SOL
 HAD A SKUNK FARM BUT
 THE SKUNKS CAUGHT COLD AND
 DIED AND SO
 MY UNCLE SOL IMITATED THE
 SKUNKS IN A SUBTLE MANNER
 OR BY DROWNING HIMSELF IN THE WATERTANK
 BUT SOMEBODY WHO'D GIVEN MY UNCLE SOL A VICTOR     
 VICTROLA AND RECORDS WHILE HE LIVED PRESENTED TO
 HIM UPON THE AUSPICIOUS OCCASION OF HIS DECEASE A
 SCRUMPTIOUS NOT TO MENTION SPLENDIFEROUS FUNERAL WITH
 TALL BOYS IN BLACK GLOVES AND FLOWERS AND EVERYTHING AND
 I REMEMBER WE ALL CRIED LIKE THE MISSOURI
 WHEN MY UNCLE SOL'S COFFIN LURCHED BECAUSE     
 SOMEBODY PRESSED A BUTTON
 (AND DOWN WENT
 MY UNCLE
 SOL
 AND STARTED A WORM FARM)
           E. E. CUMMINGS
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 File lengths (MBytes):  RWF=    264 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:01:45 2021.
